SCHEMBL4945211

SCHEMBL4945211

N#CCC(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.46
KCNH2 Q12809 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HCAR1 Q9BXC0 1/20 0.36
FABP4 P15090 1/20 0.36
MCL1 Q07820 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GRN P28799 1/20 0.33

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
SCHEMBL134693 0.81 ERCC5 (0.56) KCNH2RAB9AMAPTALDH1A1NPC1
SCHEMBL29403016 0.81 ERCC5 (0.56) KCNH2RAB9AMAPTALDH1A1NPC1
SCHEMBL16863058 0.80 HCAR2 (0.55) KCNH2MAPTMEN1KMT2A
SCHEMBL138022 0.79 GSK3B (0.57) KCNH2RAB9AMAPTALDH1A1NPC1
SCHEMBL1989864 0.75 CES2 (0.54) KCNH2ALDH1A1HCAR1MCL1CYP1A2
SCHEMBL25992463 0.75 GSK3B (0.44) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL4850442 0.75 TPMT (0.46) TPMTKCNH2MAPTALDH1A1MEN1
SCHEMBL395103 0.75 GSK3B (0.48) KCNH2RAB9AMAPTALDH1A1NPC1
SCHEMBL30712974 0.75 TSHR (0.52) ALDH1A1KDM4E
SCHEMBL133027 0.75 TSHR (0.52) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192171-A Small molecule compounds and their use in vitro expansion of hematopoietic stem cells and/or progenitor cells 上海交通大学医学院 2024-12-27 CN disclosed
EP-2291358-B1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME (US) 2018-03-28 EP disclosed
US-8623818-B2 Glucagon receptor antagonists, compositions, and methods for their use MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20110065634-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065634-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20080167322-A1 Substituted Pyrazoles as Modulators of Chemokine Receptors MERCK SHARP & DOHME CORP. 2008-07-10 US disclosed
EP-1853260-A1 SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS Merck & Co., Inc. (US) 2007-11-14 EP disclosed
WO-2006088813-A1 SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2006-08-24 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 (2 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-20080167322-A1 Substituted Pyrazoles as Modulators of Chemokine Receptors CCR1, CCR3, CCR2 TPMT 3160/4885KCNH2 3819/4885RAB9A 1325/4885
US-20110065634-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR TPMT 4658/4885KCNH2 1130/4885RAB9A 2753/4885

“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.