SCHEMBL899594

SCHEMBL899594

COc1ccc(Br)cc1-c1noc(C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GHSR Q92847 1/20 0.42
PTGS2 P35354 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
SLC9A1 P19634 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL12691861 0.84 KMT2A (0.46) TSHRKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL457431 0.81 GPBAR1 (0.62) TSHRNPC1KMT2AMEN1MAPK1
SCHEMBL30394156 0.81 GPBAR1 (0.62) TSHRNPC1KMT2AMEN1MAPK1
SCHEMBL899646 0.81 MEN1 (0.49) KMT2AMEN1MAPK1GPBAR1POLB
SCHEMBL5772816 0.79 MAPT (0.45) KMT2AMEN1SMN1; SMN2MAPK1GPBAR1
SCHEMBL4344964 0.77 KDM4E (0.53) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL12542859 0.77 GPBAR1 (0.47) TSHRNPC1KMT2AMEN1GPBAR1
SCHEMBL899630 0.76 PTGS2 (0.47) TSHRKMT2AMEN1SMN1; SMN2POLB
SCHEMBL899600 0.75 GPBAR1 (0.50) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL1246411 0.75 KMT2A (0.56) TSHRRAB9AKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722710-B2 Deuterium-enriched pioglitazone DEUTERX, LLC (US) 2014-05-13 US 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
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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A TSHR 526/4885NPC1 1251/4885RAB9A 1951/4885

“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.