SCHEMBL1419504

SCHEMBL1419504

O=Cc1ccc(C(=O)CBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.59
PTPN1 P18031 6/20 0.59
ALDH1A1 P00352 2/20 0.56
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Benzaldehyde SCHEMBL9255191 0.86 GSK3B (0.73) GSK3BPTPN1ALDH1A1KDM4EKMT2A
SCHEMBL205280 0.83 GSK3B (0.80) GSK3BPTPN1
SCHEMBL6631996 0.81 GSK3B (0.57) GSK3BPTPN1ALDH1A1
SCHEMBL11718376 0.81 GSK3B (0.57) GSK3BPTPN1ALDH1A1
SCHEMBL16382591 0.80 ALDH1A1 (0.58) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL6577194 0.78 ALDH1A1 (0.56) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL27407615 0.78 ALDH1A1 (0.56) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL6816324 0.77 GSK3B (0.64) GSK3BPTPN1KMT2A
SCHEMBL28675470 0.77 ALDH1A1 (0.54) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL28594745 0.77 GSK3B (0.70) GSK3BPTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586369-B Process for producing phenyltriazine compound and process for producing phenylpyridine compound 中国科学院长春应用化学研究所 2021-08-17 CN disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9387204-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-12 US disclosed
US-20140088110-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-8592591-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-26 US disclosed
WO-2013157021-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-10-24 WO disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed
EP-2176259-B1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AG (DE) 2011-03-30 EP disclosed
EP-2297144-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
CN-101835776-A Fused imidazoles for cancer treatment BAYER SCHERING PHARMA AG 2010-09-15 CN disclosed
EP-2176259-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-21 EP disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US disclosed
EP-2062893-A1 Fused imidazoles for cancer treatment Bayer Schering Pharma AG (DE) 2009-05-27 EP disclosed
WO-2009021990-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 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 (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-20140088110-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 GSK3B 113/4885PTPN1 1068/4885ALDH1A1 3757/4885
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 GSK3B 1842/4885PTPN1 3008/4885ALDH1A1 1855/4885
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 GSK3B 113/4885PTPN1 1068/4885ALDH1A1 3757/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 GSK3B 4564/4885PTPN1 181/4885ALDH1A1 887/4885

“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.