SCHEMBL2012058

SCHEMBL2012058

O=[C]c1ccc2cccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 3/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR4A2 P43354 1/20 0.53
CYP3A4 P08684 3/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
MAPT P10636 3/20 0.41
CASP6 P55212 1/20 0.41
PDE10A Q9Y233 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL2009640 0.85 NPC1 (0.57) ALDH1A1MEN1KMT2AHTTCASP1
SCHEMBL6854251 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTCASP1
SCHEMBL3843536 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHTTCASP1
SCHEMBL740305 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHTTCASP1
Hydrochloric Acid SCHEMBL28325576 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHTTCASP1
SCHEMBL27793193 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHTTCASP1
SCHEMBL6852232 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHTTCASP1
Quinoline SCHEMBL28240764 0.77 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHTTCASP1
SCHEMBL97819 0.75 KMT2A (0.38) ALDH1A1MEN1KMT2AHTTCASP1
SCHEMBL8615374 0.75 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTCASP1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4778802-A PSYCHOTROPIC ACTIVITY; ANTIDEPRESSANTS JOHN WYETH & BROTHER, LTD. (GB) 1988-10-18 US claimed
CN-108430992-A QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS 阿斯特克斯医疗公司 2018-08-21 CN disclosed
CN-106589057-A N-(PAK)-2,3-dioxide-isoquinoline-7-formyl-RGDV/F, synthesis, activity and application thereof 首都医科大学 2017-04-26 CN disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 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 (5 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 ALDH1A1 2252/4885MEN1 3660/4885KMT2A 3664/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE ALDH1A1 592/4885MEN1 3124/4885KMT2A 3245/4885
US-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 ALDH1A1 3275/4885MEN1 3829/4885KMT2A 2668/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 ALDH1A1 1146/4885MEN1 3062/4885KMT2A 2357/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ALDH1A1 2087/4885MEN1 4065/4885KMT2A 3585/4885

“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.