SCHEMBL1531401

SCHEMBL1531401

COC(=O)C=Cc1ccc([N+](=O)[O-])cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.58
HTT P42858 2/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 7/20 0.53
GLA P06280 1/20 0.53
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
NTSR1 P30989 1/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NLRP1 Q9C000 1/20 0.49
APP P05067 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1531400 1.00 TYR (0.58) TYRHTTPKMALDH1A1GLA
SCHEMBL6981759 0.89 TLR9 (0.53) HTTPKMALDH1A1GLALMNA
SCHEMBL6981756 0.89 TLR9 (0.53) HTTPKMALDH1A1GLALMNA
SCHEMBL1531361 0.87 TYR (0.59) TYRHTTPKMALDH1A1GLA
SCHEMBL7813596 0.87 ALDH1A1 (0.61) TYRHTTPKMALDH1A1GLA
SCHEMBL1531359 0.87 TYR (0.59) TYRHTTPKMALDH1A1GLA
SCHEMBL14931946 0.87 ALDH1A1 (0.61) TYRHTTPKMALDH1A1GLA
SCHEMBL7813598 0.87 ALDH1A1 (0.61) TYRHTTPKMALDH1A1GLA
SCHEMBL12190688 0.87 TYR (0.46) TYRHTTPKMALDH1A1GLA
SCHEMBL14508736 0.87 TYR (0.54) TYRHTTPKMALDH1A1MEN1

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-8618115-B2 Substituted thieno[3,2-d]pyrimidinones as MCHR1 antagonists and methods for using them BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
EP-2298776-A1 Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists Bristol-Myers Squibb Company (US) 2011-03-23 EP disclosed
EP-1948665-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-07-30 EP disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US 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-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R TYR 100/4885HTT 704/4885PKM 766/4885

“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.