SCHEMBL42557

SCHEMBL42557

NCc1cc(Cl)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.52
TSHR P16473 3/20 0.48
TP53 P04637 2/20 0.48
CYP2A6 P11509 1/20 0.47
IDO1 P14902 4/20 0.43
CYP3A4 P08684 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A1 O15245 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
HSPD1 P10809 1/20 0.43
HSPA5 P11021 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43

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 SCHEMBL3734261 0.98 PNMT (0.50) PNMTTSHRTP53CYP2A6IDO1
SCHEMBL701343 0.82 CYP2A6 (0.48) PNMTTSHRTP53CYP2A6IDO1
SCHEMBL1570136 0.81 TAAR1 (0.56) PNMTTSHRTP53IDO1
SCHEMBL30496773 0.81 TAAR1 (0.56) PNMTTSHRTP53IDO1
SCHEMBL109291 0.80 IDO1 (0.60) PNMTTSHRTP53CYP2A6IDO1
SCHEMBL8847353 0.78 PNMT (0.50) PNMTCYP2A6
SCHEMBL775188 0.78 CYP3A4 (0.54) PNMTTSHRTP53CYP2A6IDO1
SCHEMBL14907879 0.78 CYP3A4 (0.54) PNMTTSHRTP53CYP3A4MAPT
SCHEMBL29876674 0.78 CYP2A6 (0.46) PNMTTSHRCYP2A6IDO1CYP3A4
Hydrochloric Acid SCHEMBL11108581 0.78 IDO1 (0.61) PNMTTSHRTP53CYP2A6IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 CN claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
US-9884839-B2 Inhibitors of 17Beta-hydroxysteroid dehydrogenases type 1 and type 2 ELEXOPHARM GMBH (DE) 2018-02-06 US claimed
EP-3089969-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASES TYPE 1 AND TYPE 2 Elexopharm GmbH (DE) 2016-11-09 EP claimed
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 ELEXOPHARM GMBH (DE) 2016-11-03 US claimed
CN-102388060-B Actagardine derivatives NOVACTA BIOSYSTEMS LTD 2014-09-10 CN claimed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-20080242861-A1 Synthesis of amino-protected cyclohexane-1,4-diyldimethanamine and its derivatives TAIGEN BIOTECHNOLOGY (TW) 2008-10-02 US claimed
EP-3568399-B1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AGRIMETIS LLC (US) 2026-04-22 EP disclosed
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-20250092020-A1 IDO/TDO Inhibitor GENERAL INCORPORATED ASSOCIATION PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2025-03-20 US disclosed
WO-1997015190-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-05-01 WO disclosed
EP-0057058-B1 A METHOD OF PRESERVING ORGANIC MATERIALS FROM FUNGAL ATTACK AND A COMPOSITION FOR USE IN SUCH A METHOD SANKYO COMPANY LIMITED (JP) 1984-04-11 EP disclosed
US-4421766-A 3-HALO-2,3-DIIODOACRYLIC ACID OR ESTER SANKYO CO., LTD. (JP) 1983-12-20 US disclosed
EP-0057058-A1 A method of preserving organic materials from fungal attack and a composition for use in such a method SANKYO COMPANY LIMITED (JP) 1982-08-04 EP 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 (7 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R PNMT 3102/4885TSHR 1642/4885TP53 4730/4885
US-20080242861-A1 Synthesis of amino-protected cyclohexane-1,4-diyldimethanamine and its derivatives DDC, PNMT, DDT PNMT 2/4885TSHR 3887/4885TP53 3065/4885
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 HSD17B1, HSD17B2, HSD17B3 PNMT 3041/4885TSHR 2640/4885TP53 4358/4885
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT PNMT 560/4885TSHR 4856/4885TP53 3579/4885
US-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 PNMT 4802/4885TSHR 1670/4885TP53 1120/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B PNMT 137/4885TSHR 552/4885TP53 2365/4885
US-20250092020-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 PNMT 2246/4885TSHR 115/4885TP53 405/4885

“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.