SCHEMBL1611362

SCHEMBL1611362

O=C1N=Cc2cccc([N+](=O)[O-])c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.50
PTPRC P08575 1/20 0.46
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ACHE P22303 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
GPR35 Q9HC97 2/20 0.42
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL31272464 1.00 S100A4 (0.50) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL3039191 0.73 TDP1 (0.67) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL33377367 0.69 CA1 (0.36) CA1CA2CA7CA9
SCHEMBL244916 0.69 S100A4 (0.61) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL8979627 0.69 S100A4 (0.61) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL4752952 0.69 S100A4 (0.52) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL28734159 0.69 TDP1 (0.46) S100A4PTPRCMAPTKMT2ATDP1
SCHEMBL2927806 0.68 S100A4 (0.55) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL2599501 0.67 S100A4 (1.00) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL2347136 0.67 S100A4 (0.84) S100A4PTPRCMAPTRECQLKMT2A

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
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US claimed
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof DONG-A ST CO., LTD. (KR) 2025-03-04 US disclosed
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US disclosed
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
EP-4163278-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR Nanjing Chia Tai Tianqing Pharmaceutical Co., Ltd. (CN) 2023-04-12 EP disclosed
EP-2486012-B1 PROCESSES FOR THE PREPARATION OF 2-(1-PHENYLETHYL) ISOINDOLIN-1-ONE COMPOUNDS CELGENE CORP (US) 2013-12-11 EP disclosed
US-8415485-B2 Processes for the preparation of 2-(1-phenylethyl)isoindolin-1-one compounds CELGENE CORPORATION (US) 2013-04-09 US disclosed
US-20110087033-A1 Processes for the Preparation of 2-(1-Phenylethyl)isoindolin-1-one Compounds AMGEN INC. 2011-04-14 US 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 (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-20110087033-A1 Processes for the Preparation of 2-(1-Phenylethyl)isoindolin-1-one Compounds PNMT, CYP2E1, CYP1A1 S100A4 3312/4885PTPRC 3287/4885MAPT 673/4885
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof EIF2AK4, GCN1, GCGR S100A4 3678/4885PTPRC 4319/4885MAPT 2789/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP S100A4 4140/4885PTPRC 998/4885MAPT 2663/4885
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR S100A4 3678/4885PTPRC 4319/4885MAPT 2789/4885

“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.