SCHEMBL889349

SCHEMBL889349

CC(C)c1ccc2nc(C(C)C)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SCN4A P35499 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSMB5 P28074 1/20 0.40
TYR P14679 1/20 0.39
PDE10A Q9Y233 1/20 0.39
UGT2B7 P16662 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.35
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL10199294 0.86 NPC1 (0.41) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL10120019 0.85 AAK1 (0.50) NPC1RAB9ASCN4ASMN1; SMN2AAK1
SCHEMBL20100917 0.84 ESR1 (0.40) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL21036863 0.83 PIK3CD (0.40) NPC1RAB9APDE10AAAK1ALDH1A1
SCHEMBL1869386 0.83 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2PDE10AUGT2B7
SCHEMBL2609300 0.80 HTR3A (0.46) SMN1; SMN2PDE10AAAK1ALDH1A1MEN1
SCHEMBL21195656 0.80 NPC1 (0.43) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL10122186 0.80 NPC1 (0.43) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL2667929 0.80 CYP1A2 (0.59) NPC1RAB9ASMN1; SMN2PSMB5AAK1
SCHEMBL1102403 0.80 CYP1A2 (0.59) NPC1RAB9ASCN4ASMN1; SMN2PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918575-B2 PZA and cytochrome Bc1 inhibitor combination treatment Janssen Sciences Ireland Unlimited Company (IE) 2024-03-05 US disclosed
US-11918575-B2 PZA and cytochrome Bc1 inhibitor combination treatment Janssen Sciences Ireland Unlimited Company (IE) 2024-03-05 US disclosed
WO-2023235753-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-12-07 WO disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
US-11180472-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2021-11-23 US disclosed
US-11149110-B2 Nanoparticles for use in light emitting applications CHROMITION LIMITED (GB) 2021-10-19 US disclosed
US-20210040260-A1 NANOPARTICLES CHROMITION LTD (GB) 2021-02-11 US disclosed
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2020-07-30 US disclosed
US-10703857-B2 Nanoparticles CHROMITION LIMITED (GB) 2020-07-07 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US 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-11180472-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 NPC1 1147/4885RAB9A 3094/4885SCN4A 4715/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NPC1 36/4885RAB9A 3036/4885SCN4A 4001/4885
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 NPC1 1746/4885RAB9A 4207/4885SCN4A 3838/4885
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 NPC1 37/4885RAB9A 2515/4885SCN4A 2281/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NPC1 36/4885RAB9A 3036/4885SCN4A 4001/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 NPC1 1147/4885RAB9A 3094/4885SCN4A 4715/4885
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 NPC1 34/4885RAB9A 3060/4885SCN4A 3949/4885
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 NPC1 1147/4885RAB9A 3094/4885SCN4A 4715/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 NPC1 34/4885RAB9A 3060/4885SCN4A 3949/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 NPC1 34/4885RAB9A 3060/4885SCN4A 3949/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 NPC1 34/4885RAB9A 3060/4885SCN4A 3949/4885
US-11918575-B2 PZA and cytochrome Bc1 inhibitor combination treatment CYC1, MT-ND1, MT-CO1 NPC1 613/4885RAB9A 3467/4885SCN4A 4375/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 NPC1 34/4885RAB9A 3060/4885SCN4A 3949/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR NPC1 3130/4885RAB9A 4390/4885SCN4A 2488/4885

“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.