SCHEMBL3031256

SCHEMBL3031256

Cc1cc(Br)cc2cc(C(=O)O)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
GPR35 Q9HC97 2/20 0.44
PIN1 Q13526 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
XDH P47989 1/20 0.42
HRH4 Q9H3N8 3/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
EIF4A3 P38919 1/20 0.41
SYK P43405 1/20 0.40
MAPT P10636 1/20 0.40
DAO P14920 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
SCHEMBL7410168 0.82 XDH (0.47) HPGDALDH1A1KDM4ELMNAGPR35
SCHEMBL3095919 0.82 HRH4 (0.57) HPGDALDH1A1KDM4ELMNAGPR35
SCHEMBL3609206 0.80 ALDH1A1 (0.50) HPGDALDH1A1KDM4ELMNAMEN1
SCHEMBL28004365 0.79 HPGD (0.46) HPGDALDH1A1KDM4ELMNAGPR35
SCHEMBL18661924 0.79 IDO1 (0.46) HPGDALDH1A1KDM4ELMNAGPR35
SCHEMBL3543391 0.79 DAO (0.46) HPGDALDH1A1KDM4ELMNAGPR35
SCHEMBL22396281 0.79 HRH4 (0.59) HPGDALDH1A1KDM4ELMNAGPR35
SCHEMBL2309179 0.79 KDM4E (0.51) HPGDALDH1A1KDM4EGPR35HSD17B10
SCHEMBL3708783 0.76 XDH (0.69) HPGDALDH1A1KDM4ELMNAGPR35
SCHEMBL28740680 0.75 HPGD (0.53) HPGDALDH1A1KDM4ELMNAGPR35

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
CN-101790313-A Compound (I) SMITHKLINE BEECHAM CORP 2010-07-28 CN disclosed
CN-100558428-C Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2009-11-11 CN disclosed
CN-1917921-A Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2007-02-21 CN 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 HPGD 824/4885ALDH1A1 348/4885KDM4E 1070/4885

“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.