SCHEMBL4430783

SCHEMBL4430783

Nc1ccc(C(=O)Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
SRD5A2 P31213 2/20 0.65
STS P08842 1/20 0.58
PLAU P00749 2/20 0.54
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
CNR2 P34972 1/20 0.51
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
AKR1B1 P15121 1/20 0.50
S1PR5 Q9H228 1/20 0.50
GAA P10253 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48

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
SCHEMBL3060994 0.92 PLAU (0.60) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL1879336 0.90 NPC1 (0.55) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL7129800 0.89 MAPT (0.80) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL24800 0.85 MAPT (0.73) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL16367718 0.84 SRD5A2 (0.59) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL5260372 0.83 SRD5A2 (0.89) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL8033816 0.83 SRD5A2 (0.89) MAPTL3MBTL1SRD5A2STSPLAU
Water SCHEMBL9243001 0.83 MAPT (0.70) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL4282905 0.83 MAPT (0.70) MAPTL3MBTL1SRD5A2STSPLAU
Water SCHEMBL20527670 0.83 MAPT (0.70) MAPTL3MBTL1SRD5A2STSPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789605-A Novel electron transport material based on benzo [ c ] cinnoline and preparation thereof 四川大学 2023-09-22 CN disclosed
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 US disclosed
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 US disclosed
US-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2011-12-29 US disclosed
US-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2011-12-29 US disclosed
WO-2010088408-A2 SUBUNIT SELECTIVE NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 WO disclosed
CN-1642580-B Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA NV 2010-05-26 CN disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-20040082592-A1 Metabotropic glutamate receptor antagonists JANSSEN-CILAG SA (FR) 2004-04-29 US disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 WO disclosed
EP-1332133-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-08-06 EP disclosed
WO-2002028837-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-11 WO disclosed
EP-0562824-B1 Thermal recording material FUJI PHOTO FILM CO LTD (JP) 1997-06-11 EP disclosed
US-5464804-A Heat sensitive color layer with electron donor, colorless dye is black color aminofluoran, amino compound and isocyanate compound FUJI PHOTO FILM CO., LTD. (JP) 1995-11-07 US disclosed
US-5288688-A Comprising electron-donating colorless dye, isocyanate and amino compounds; antifogging, discoloration inhibition, storage stability FUJI PHOTO FILM CO., LTD. (JP) 1994-02-22 US disclosed
EP-0562824-A2 Thermal recording material FUJI PHOTO FILM CO., LTD. (JP) 1993-09-29 EP disclosed
WO-1992017516-A1 PROCESS FOR CURING POLYQUINOLINE POLYMERS AND COMPOSITIONS THEREOF MAXDEM INCORPORATED (US) 1992-10-15 WO disclosed
CN-86105597-A Make the method for novel pyrazoline compounds 1987-02-25 CN 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 (6 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-20040082592-A1 Metabotropic glutamate receptor antagonists GRM3, GRM1, GRIN3A MAPT 3958/4885L3MBTL1 2214/4885SRD5A2 1043/4885
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 MAPT 2167/4885L3MBTL1 2131/4885SRD5A2 2715/4885
US-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B MAPT 598/4885L3MBTL1 2410/4885SRD5A2 2959/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT MAPT 3403/4885L3MBTL1 2793/4885SRD5A2 4223/4885
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT MAPT 3059/4885L3MBTL1 1464/4885SRD5A2 4572/4885
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF MAPT 3696/4885L3MBTL1 1994/4885SRD5A2 2050/4885

“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.