SCHEMBL3538182

SCHEMBL3538182

[C-]#[N+]Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
TAAR1 Q96RJ0 2/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
AGXT P21549 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAOB P27338 1/20 0.37
CHRM2 P08172 1/20 0.35
AOC3 Q16853 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL30028871 0.78 HRH3 (0.41) IDO1TAAR1LMNAAGXTMAOB
SCHEMBL5672968 0.76 IDO1 (0.48) IDO1TAAR1LMNAAGXTMAOB
SCHEMBL2560685 0.75 TAAR1 (0.50) IDO1TAAR1LMNACYP2A6AGXT
SCHEMBL12374395 0.74 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAOB
SCHEMBL855864 0.74 TP53 (0.43) IDO1TAAR1LMNACYP2A6ALDH1A1
SCHEMBL11740256 0.74 ESR1 (0.50) IDO1TAAR1LMNASLC6A2MEN1
SCHEMBL4890253 0.74 IDO1 (0.46) IDO1TAAR1LMNACYP2A6AGXT
SCHEMBL3890376 0.74 TAAR1 (0.42) IDO1TAAR1CYP2A6HTR2AKDM4E
SCHEMBL29952853 0.73 PIK3CA (0.41) IDO1TAAR1SLC6A4SLC6A3MEN1
SCHEMBL3756416 0.73 IDO1 (0.52) IDO1TAAR1LMNASLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983068-B1 NOVEL ARGINASE INHIBITORS UNIV GRONINGEN (NL) 2024-03-20 EP disclosed
US-11845767-B2 Arginase inhibitors RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-12-19 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220227791-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2022-07-21 US disclosed
EP-3983068-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2022-04-20 EP disclosed
CN-113444090-A Compound and application thereof 北京鼎材科技有限公司 2021-09-28 CN disclosed
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 WO disclosed
EP-2086960-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-03-05 EP disclosed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
US-7741354-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2010-06-22 US disclosed
WO-2000075202-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075203-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
EP-0947561-A1 ORGANOPOLYSILOXANE COMPOSITION THREE BOND CO., LTD. (JP) 1999-10-06 EP disclosed
US-5739155-A Haloalkylthio,-sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO. (US) 1998-04-14 US disclosed
EP-0549866-B1 Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal, acaricidal and fungicidal agents AMERICAN CYANAMID CO (US) 1997-08-13 EP disclosed
US-5484807-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents BASF AKTIENGESELLSCHAFT 1996-01-16 US disclosed
US-5468877-A FOR PROTECTING CROPS AMERICAN CYANAMID COMPANY (US) 1995-11-21 US disclosed
US-5306827-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1994-04-26 US disclosed
US-5284863-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-02-08 US disclosed
EP-0549866-A1 Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal, acaricidal and fungicidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-07 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 (3 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-20220227791-A1 NOVEL ARGINASE INHIBITORS ARG1, ARG2, ARGLU1 IDO1 34/4885TAAR1 683/4885LMNA 4660/4885
US-11845767-B2 Arginase inhibitors ARG1, ARG2, ARGLU1 IDO1 29/4885TAAR1 769/4885LMNA 4591/4885
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 IDO1 3291/4885TAAR1 2537/4885LMNA 199/4885

“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.