SCHEMBL2651269

SCHEMBL2651269

O=[N+]([O-])c1ccc(F)c(-c2nccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PTPRC P08575 2/20 0.40
S100A4 P26447 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
AMY1A P0DUB6 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL27694793 0.84 TDP1 (0.45) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL27468615 0.82 HSD17B10 (0.49) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL27987415 0.81 MAPT (0.45) ALDH1A1HIF1AMAPTLMNAKDM4E
SCHEMBL10966887 0.79 CYP3A4 (0.49) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL28146143 0.79 LMNA (0.43) MAPTLMNAKDM4ENPC1KMT2A
SCHEMBL27557457 0.79 PTGS2 (0.51) MAPTKMT2APTPRCS100A4TDP1
SCHEMBL4910527 0.77 ALDH1A1 (0.67) ALDH1A1HIF1AMAPTLMNAKDM4E
SCHEMBL8396786 0.76 PTPRC (0.38) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL6221321 0.75 ALDH1A1 (0.51) ALDH1A1HIF1AMAPTLMNANPC1
SCHEMBL8205734 0.75 MAPT (0.43) ALDH1A1MAPTLMNAKDM4ENPC1

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-20240124406-A1 INHIBITORS OF TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2024-04-18 US disclosed
CN-116761795-A Inhibitors of Transcription Enhancement Associated Domain (TEAD) and uses thereof 达纳-法伯癌症研究所股份有限公司 2023-09-15 CN disclosed
EP-4164752-A1 INHIBITORS OF TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2023-04-19 EP disclosed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 ALDH1A1 404/4885HIF1A 635/4885MAPT 754/4885
US-20240124406-A1 INHIBITORS OF TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) AND USES THEREOF TEAD1, TEAD2, TEAD4 ALDH1A1 2325/4885HIF1A 1071/4885MAPT 769/4885

“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.