SCHEMBL12374412

SCHEMBL12374412

Cc1cc([N+](=O)[O-])ccc1OCC(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 3/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 4/20 0.43
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
S1PR4 O95977 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL5866590 0.88 ALDH1A1 (0.51) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL27787356 0.87 TSHR (0.44) ALDH1A1TDP1TSHRCYP3A4ADRB2
SCHEMBL11664059 0.85 MAPT (0.49) ALDH1A1TDP1TSHRLMNASMN1; SMN2
SCHEMBL772921 0.85 ALOX15 (0.52) ALDH1A1TDP1TSHRCYP3A4ADRB2
SCHEMBL1531395 0.84 HTT (0.53) ALDH1A1TDP1CYP3A4LMNASMN1; SMN2
SCHEMBL1531391 0.84 HTT (0.53) ALDH1A1TDP1CYP3A4LMNASMN1; SMN2
SCHEMBL12429752 0.84 HTT (0.53) ALDH1A1TDP1CYP3A4LMNASMN1; SMN2
SCHEMBL29171368 0.82 HTT (0.58) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL22381241 0.81 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL8946550 0.80 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCYP3A4LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989433-B2 Substituted thieno[3,2-D]pyrimidines as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
US-20090298794-A1 HYDROXY SUBSTITUTED THIENO PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 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-20090298794-A1 HYDROXY SUBSTITUTED THIENO PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MC1R, MCHR2 ALDH1A1 368/4885TDP1 1828/4885TSHR 18/4885

“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.