SCHEMBL1531361

SCHEMBL1531361

COc1cc([N+](=O)[O-])ccc1C=CC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.59
KDM4E B2RXH2 1/20 0.55
HTT P42858 2/20 0.53
PKM P14618 1/20 0.51
ALDH1A1 P00352 5/20 0.51
GLA P06280 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
NTSR1 P30989 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
KRAS P01116 2/20 0.48
EPHX1 P07099 1/20 0.48
APP P05067 1/20 0.47
ERN1 O75460 1/20 0.47
CYP19A1 P11511 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL1531359 1.00 TYR (0.59) TYRKDM4EHTTPKMALDH1A1
SCHEMBL7813598 0.89 ALDH1A1 (0.61) TYRKDM4EHTTPKMALDH1A1
SCHEMBL7813596 0.89 ALDH1A1 (0.61) TYRKDM4EHTTPKMALDH1A1
SCHEMBL14931946 0.89 ALDH1A1 (0.61) TYRKDM4EHTTPKMALDH1A1
SCHEMBL1531400 0.87 TYR (0.58) TYRKDM4EHTTPKMALDH1A1
SCHEMBL1531401 0.87 TYR (0.58) TYRKDM4EHTTPKMALDH1A1
SCHEMBL14508736 0.83 TYR (0.54) TYRHTTPKMALDH1A1MEN1
SCHEMBL12869664 0.83 TYR (0.54) TYRHTTPKMALDH1A1MEN1
SCHEMBL6314297 0.81 HPGD (0.62) TYRKDM4EHTTALDH1A1LMNA
SCHEMBL4933000 0.81 PTGS2 (0.54) HTTALDH1A1TDP1MAPTKMT2A

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 100/4885KDM4E 2607/4885HTT 704/4885

“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.