SCHEMBL1531330

SCHEMBL1531330

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 4/20 0.54
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 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
SCHEMBL1531280 0.88 PTGDR2 (0.63) KMT2AMEN1SMN1; SMN2HTTTDP1
SCHEMBL5396606 0.87 KMT2A (0.53) KMT2AMEN1SMN1; SMN2HTTTDP1
SCHEMBL9631061 0.84 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2HTTTDP1
SCHEMBL3536740 0.83 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2HTTMAPT
SCHEMBL16543584 0.83 HTT (0.58) KMT2AMEN1SMN1; SMN2HTTTDP1
SCHEMBL1578893 0.82 KMT2A (0.50) KMT2AMEN1SMN1; SMN2HTTTDP1
SCHEMBL12838161 0.82 KMT2A (0.49) KMT2AMEN1SMN1; SMN2HTTTDP1
SCHEMBL17538570 0.82 MAPT (0.65) KMT2AMEN1SMN1; SMN2TDP1PKM
SCHEMBL6921762 0.82 PTGDR2 (0.63) KMT2AMEN1SMN1; SMN2HTTTDP1
SCHEMBL222640 0.82 SMN1; SMN2 (0.57) KMT2AMEN1SMN1; SMN2HTTTDP1

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 11 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-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-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
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
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US 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 KMT2A 1468/4885MEN1 512/4885SMN1; SMN2 1571/4885

“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.