SCHEMBL1531295

SCHEMBL1531295

CSc1cc([N+](=O)[O-])ccc1OCC(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
S1PR4 O95977 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CACNA1C Q13936 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 6/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 4/20 0.37
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL941299 0.82 ALDH1A1 (0.49) ALDH1A1S1PR4TDP1PTGDR2RAB9A
SCHEMBL1531279 0.81 HTT (0.53) ALDH1A1PKMTDP1RAB9AKMT2A
SCHEMBL1531333 0.76 HSP90AA1 (0.46) ALDH1A1TDP1RAB9ASMN1; SMN2NPSR1
SCHEMBL12359730 0.76 TDP1 (0.60) ALDH1A1PKMCRHBPCRHR2TDP1
SCHEMBL2730039 0.74 RECQL (0.52) ALDH1A1PKMCRHBPCRHR2TDP1
SCHEMBL13962353 0.73 PTGS2 (0.51) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL1023732 0.71 HTT (0.51) ALDH1A1PKMTDP1RAB9AKMT2A
SCHEMBL23041710 0.70 MAPT (0.53) ALDH1A1PKMCRHBPCRHR2TDP1
SCHEMBL1530457 0.70 GAA (0.59) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL29748321 0.70 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMAPTMEN1

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 ALDH1A1 622/4885PKM 766/4885CRHBP 153/4885

“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.