SCHEMBL2554878

SCHEMBL2554878

O=C(O)Nc1ccc(Cl)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CXCR2 P25025 1/20 0.51
POLB P06746 2/20 0.49
GRIK1 P39086 2/20 0.49
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 4/20 0.45
HPGD P15428 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 3/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL1006639 0.85 GRIK1 (0.53) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL1197038 0.83 KDM4E (0.62) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11422548 0.80 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL30336895 0.80 MAPT (0.54) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL17295683 0.80 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL25358934 0.80 ALDH1A1 (0.53) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL18605307 0.80 MAPT (0.54) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL1092441 0.80 KDM4E (0.58) RAB9AALDH1A1POLBKDM4ETP53
SCHEMBL7932534 0.79 CA1 (0.50) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL16992886 0.79 RAB9A (0.51) RAB9ASMN1; SMN2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
EP-4146644-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-03-15 EP disclosed
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 WO disclosed
EP-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP disclosed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP disclosed
CN-102015651-B Compounds and compositions as TLR activity modulators IRM LLC 2014-12-31 CN disclosed
WO-2013148603-A1 CINNOLINE DERIVATIVES AS AS BTK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 WO disclosed
EP-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 EP disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed
EP-1711183-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP disclosed
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 US disclosed
EP-1711183-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-18 EP disclosed
WO-2005067537-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-28 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 RAB9A 3126/4885SMN1; SMN2 3247/4885MAPT 3407/4885
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 RAB9A 2952/4885SMN1; SMN2 2627/4885MAPT 4036/4885

“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.