SCHEMBL1531280

SCHEMBL1531280

COc1cc([N+](=O)[O-])ccc1OCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.63
MAPT P10636 3/20 0.59
POLB P06746 3/20 0.59
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 3/20 0.54
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.52
TTR P02766 1/20 0.52
LMNA P02545 1/20 0.50

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
SCHEMBL6921762 0.94 PTGDR2 (0.63) PTGDR2MAPTPOLBKMT2AMEN1
SCHEMBL3480872 0.91 PTGDR2 (0.69) PTGDR2MAPTPOLBKMT2AMEN1
SCHEMBL1531330 0.88 KMT2A (0.54) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL5396606 0.87 KMT2A (0.53) PTGDR2MAPTPOLBKMT2AMEN1
SCHEMBL3536740 0.83 ALDH1A1 (0.60) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL16543584 0.83 HTT (0.58) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL1578893 0.82 KMT2A (0.50) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL12838161 0.82 KMT2A (0.49) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL15362097 0.82 PTGDR2 (0.63) PTGDR2MAPTPOLBKMT2AMEN1
SCHEMBL6573363 0.82 PTGDR2 (0.66) PTGDR2MAPTPOLBKMT2AMEN1

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 16 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-1948665-B1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP 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
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 US 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
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 WO disclosed
EP-0912182-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 1999-12-29 EP disclosed
US-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 US disclosed
EP-0912182-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000144-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 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 (3 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 PTGDR2 1113/4885MAPT 1587/4885POLB 3020/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS PTGDR2 3774/4885MAPT 2433/4885POLB 3169/4885
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R PTGDR2 454/4885MAPT 1990/4885POLB 3995/4885

“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.