SCHEMBL12797261

SCHEMBL12797261

C=CCc1cc([N+](=O)[O-])ccc1-c1cnccc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
PTGS2 P35354 1/20 0.37
NPBWR1 P48145 3/20 0.36
POLB P06746 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL12797263 0.85 MAPT (0.36) ALDH1A1POLBCYP3A4CYP19A1CYP11B1
SCHEMBL12848919 0.79 CYP17A1 (0.35) PTGS2CYP3A4CYP17A1CYP11B1CYP11B2
SCHEMBL10272852 0.78 PDGFRB (0.43) ALDH1A1POLBCYP17A1CYP19A1CYP11B1
SCHEMBL2552755 0.77 ALDH1A1 (0.55) TDP1ALDH1A1TSHRPOLBCYP3A4
SCHEMBL527993 0.77 PDE4B (0.48) TDP1ALDH1A1TSHRNPBWR1POLB
SCHEMBL7079453 0.74 HSD17B10 (0.47) TDP1ALDH1A1TSHRNPBWR1CYP3A4
SCHEMBL527341 0.73 CYP46A1 (0.46) TDP1ALDH1A1POLBCYP3A4CYP17A1
SCHEMBL526783 0.71 CYP19A1 (0.49) TDP1TSHRCYP17A1CYP19A1CYP11B1
SCHEMBL16472053 0.71 MEN1 (0.53) TDP1ALDH1A1TSHRPTGS2POLB
SCHEMBL9683795 0.70 TDP1 (0.50) TDP1ALDH1A1TSHRPOLBCYP3A4

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 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 (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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 TDP1 4423/4885ALDH1A1 644/4885TSHR 4453/4885

“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.