SCHEMBL731620

SCHEMBL731620

NCCNC(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
MAOB P27338 1/20 0.67
MEN1 O00255 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
KMT2A Q03164 1/20 0.65
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
EPHX2 P34913 1/20 0.59
PRSS1 P07477 1/20 0.59
CTSG P08311 1/20 0.59
CTRB1 P17538 1/20 0.59
CMA1 P23946 1/20 0.59
RECQL P46063 1/20 0.58

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
Hydrochloric Acid SCHEMBL1579939 0.98 MEN1 (0.68) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL1245952 0.93 CYP1A2 (0.64) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL3861146 0.89 MAOB (0.81) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL18759244 0.89 NPC1 (0.64) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL17710353 0.89 LMNA (0.59) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL7974114 0.89 LMNA (0.59) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL1467538 0.88 NPC1 (0.66) GAASMN1; SMN2LMNAPOLBNPC1
Hydrochloric Acid SCHEMBL7974170 0.87 LMNA (0.57) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL3192014 0.87 LMNA (0.77) KMT2AGAASMN1; SMN2LMNAPOLB
SCHEMBL19874469 0.86 NPC1 (0.64) GAASMN1; SMN2LMNAPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US claimed
EP-4242203-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (KR) 2023-09-13 EP claimed
CN-116507611-A Novel capsid assembly inhibitor 佩勒梅德有限公司 2023-07-28 CN claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
CN-104262262-B A kind of N, 6 phenylbenzene pyrimidine-4-amine class Bcr-Abl inhibitor and its preparation method and application 西安交通大学 2016-06-08 CN claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US claimed
CN-104262262-A N,6 diphenylpyrimidine-4-amine Bcr-Abl inhibitors as well as preparation method and application thereof UNIV XI AN JIAOTONG 2015-01-07 CN claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP claimed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP claimed
CN-1048214-A The preparation method of new anti-arrhythmic II HAESSLE AB (SE) 1991-01-02 CN claimed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 EP claimed

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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CYP1A2 239/4885TSHR 271/4885NFKB1 2197/4885
US-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC CYP1A2 1126/4885TSHR 2685/4885NFKB1 472/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R CYP1A2 381/4885TSHR 303/4885NFKB1 1589/4885
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR ZC3HAV1, COPB1, CNBP CYP1A2 4692/4885TSHR 4739/4885NFKB1 986/4885

“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.