SCHEMBL457305

SCHEMBL457305

COc1ccccc1-c1noc(CBr)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.47
GPBAR1 Q8TDU6 2/20 0.47
ALDH1A1 P00352 9/20 0.44
HPGD P15428 7/20 0.44
HSD17B10 Q99714 5/20 0.44
KDM4E B2RXH2 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ALOX15 P16050 1/20 0.42
HTR7 P34969 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL470473 0.87 GHSR (0.47) GHSRGPBAR1ALDH1A1HPGDHSD17B10
SCHEMBL30394156 0.81 GPBAR1 (0.62) GHSRGPBAR1ALDH1A1HPGDHSD17B10
SCHEMBL457431 0.81 GPBAR1 (0.62) GHSRGPBAR1ALDH1A1HPGDHSD17B10
SCHEMBL457660 0.72 GHSR (0.43) GHSRGPBAR1ALDH1A1HPGDHSD17B10
SCHEMBL2776107 0.72 GPBAR1 (0.43) GPBAR1ALDH1A1HPGDKDM4ENPC1
SCHEMBL11518678 0.72 GPBAR1 (0.64) GHSRGPBAR1ALDH1A1HSD17B10KDM4E
SCHEMBL459409 0.72 GPBAR1 (0.60) GHSRGPBAR1ALDH1A1HPGDNPC1
SCHEMBL4947186 0.72 GPBAR1 (0.43) GPBAR1NPC1RAB9A
SCHEMBL903067 0.70 ALDH1A1 (0.48) GPBAR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL899600 0.70 GPBAR1 (0.50) GHSRGPBAR1ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621920-B1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2016-01-27 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2621920-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-08-07 EP disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 GHSR 815/4885GPBAR1 881/4885ALDH1A1 728/4885
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A GHSR 1417/4885GPBAR1 2916/4885ALDH1A1 2107/4885

“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.