SCHEMBL1002115

SCHEMBL1002115

Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
ALDH1A1 P00352 2/20 0.65
BRCA1 P38398 1/20 0.65
HBB P68871 1/20 0.65
HSD17B10 Q99714 1/20 0.65
POLB P06746 2/20 0.62
RAB9A P51151 2/20 0.62
MAOA P21397 1/20 0.54
BCAT2 O15382 1/20 0.53
KEAP1 Q14145 1/20 0.51
LTA4H P09960 2/20 0.49
HTT P42858 1/20 0.47
MAP4K4 O95819 1/20 0.46
NPC1 O15118 1/20 0.44
NLRP3 Q96P20 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
MAOB P27338 1/20 0.44
APAF1 O14727 1/20 0.42

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
SCHEMBL31674507 1.00 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1BRCA1
Hydrochloric Acid SCHEMBL8330166 0.98 KDM4E (0.66) KDM4EMEN1KMT2AALDH1A1BRCA1
Aniline SCHEMBL27748529 0.96 MEN1 (0.64) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL29350197 0.89 KDM4E (0.65) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL22530434 0.89 KDM4E (0.65) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL20931746 0.88 KDM4E (0.79) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL30065736 0.85 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL28884182 0.85 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL30065737 0.85 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL1547206 0.84 MAOB (0.65) KDM4EMEN1KMT2AALDH1A1BRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108649-B1 Novel indol carboxylic acid bispyridyl carboxamide derivatives as 5-HT2c receptor antagonists KOREA RES INST CHEM TECH (KR) 2013-04-24 EP claimed
US-8324246-B2 Indol carboxylic acid bispyridyl carboxamide derivatives, pharmaceutically acceptable salt thereof, preparation method and composition containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-04 US claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
WO-2009125923-A2 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 WO claimed
EP-2108649-A1 Novel indol carboxylic acid bispyridyl carboxamide derivatives as 5-HT2c receptor antagonists Korea Research Institute of Chemical Technology (KR) 2009-10-14 EP claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-20250304558-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-10-02 US disclosed
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP disclosed
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
EP-4169916-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 CN disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed
US-4004011-A PROLACTIN SECRETION INHIBITORS SANDOZ LTD. (CH) 1977-01-18 US disclosed
US-4001254-A ISOTHIOCYANOPYRIDINE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1977-01-04 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 (4 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KDM4E 3926/4885MEN1 4826/4885KMT2A 3896/4885
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 KDM4E 2383/4885MEN1 1484/4885KMT2A 929/4885
US-20250304558-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, KCNH1 KDM4E 1095/4885MEN1 402/4885KMT2A 379/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 KDM4E 2664/4885MEN1 4809/4885KMT2A 3656/4885

“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.