SCHEMBL4393880

SCHEMBL4393880

Cc1nc2cc(C(C)(C)C)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SCN10A Q9Y5Y9 5/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KIF11 P52732 3/20 0.43
HDAC6 Q9UBN7 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
METAP2 P50579 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL805057 0.85 GAA (0.68) MAPTGAAHSD17B10SCN10AKCNH2
SCHEMBL5679579 0.84 MAPT (0.57) MAPTGAAHSD17B10SCN10AKCNH2
SCHEMBL3266151 0.83 MAPT (0.45) MAPTGAAHSD17B10SCN10AKCNH2
SCHEMBL10235429 0.83 MAPT (0.45) MAPTGAAHSD17B10SCN10AKCNH2
SCHEMBL10573929 0.82 MAPT (0.44) MAPTGAAHSD17B10SCN10AKCNH2
SCHEMBL846855 0.81 SCN10A (0.58) MAPTSCN10AKCNH2POLBKDM4E
SCHEMBL18931745 0.80 SCN10A (0.45) SCN10AKCNH2KIF11HDAC6FGFR1
SCHEMBL5015652 0.80 SCN10A (0.45) SCN10AKCNH2KIF11HDAC6FGFR1
SCHEMBL13619366 0.80 FABP6 (0.50) MAPTGAASCN10AKCNH2ALDH1A1
SCHEMBL4393877 0.80 SCN10A (0.45) SCN10AKCNH2KIF11HDAC6FGFR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP claimed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO claimed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-20220133713-A1 SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE Temple University--of the Commonwealth System of Higher Education 2022-05-05 US disclosed
US-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2022-01-04 US disclosed
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2021-10-21 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-12-17 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20080009524-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-01-10 US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 MAPT 4160/4885GAA 4866/4885HSD17B10 1632/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH MAPT 3729/4885GAA 2175/4885HSD17B10 2328/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885GAA 223/4885HSD17B10 2002/4885
US-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof CYP19A1, ESR1, GPER1 MAPT 4464/4885GAA 2444/4885HSD17B10 174/4885
US-20080009524-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MAPT 4484/4885GAA 328/4885HSD17B10 1734/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L MAPT 1728/4885GAA 940/4885HSD17B10 4303/4885
US-20220133713-A1 SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 MAPT 878/4885GAA 558/4885HSD17B10 1017/4885
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 MAPT 4741/4885GAA 2817/4885HSD17B10 139/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 MAPT 1986/4885GAA 163/4885HSD17B10 166/4885
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 MAPT 4741/4885GAA 2817/4885HSD17B10 139/4885
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease CFTR, ABCB4, ABCF2 MAPT 4243/4885GAA 199/4885HSD17B10 1100/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 MAPT 4051/4885GAA 3497/4885HSD17B10 626/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885GAA 698/4885HSD17B10 4376/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 MAPT 4869/4885GAA 2785/4885HSD17B10 648/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.