SCHEMBL1531271

SCHEMBL1531271

COc1cc([N+](=O)[O-])ccc1OCCNC(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 2/20 0.52
MAPT P10636 6/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.46
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45

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
SCHEMBL1667630 0.86 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL1667628 0.86 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL1667033 0.86 MEN1 (0.52) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL7447967 0.81 MEN1 (0.52) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL12448302 0.80 ALDH1A1 (0.52) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL1531347 0.80 KDM4E (0.49) KMT2ANPC1ALDH1A1MAPTGAA
SCHEMBL1667226 0.80 ALDH1A1 (0.60) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL224123 0.78 TDP1 (0.60) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL3858934 0.78 MAPT (0.50) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL7870814 0.78 SMN1; SMN2 (0.59) MEN1KMT2ANPC1ALDH1A1RAB9A

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 6 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
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 MEN1 512/4885KMT2A 1468/4885NPC1 559/4885

“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.