SCHEMBL10035010

SCHEMBL10035010

CCOc1cc([N+](=O)[O-])ccc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.46
CA2 P00918 6/20 0.46
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 2/20 0.46
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
CA4 P22748 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA13 Q8N1Q1 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
SCHEMBL26116577 0.85 TRPV4 (0.56) CYP19A1MAPTALDH1A1KMT2ALMNA
SCHEMBL2032272 0.83 HTT (0.63) MAPTALDH1A1LMNAHTTCA2
SCHEMBL38656746 0.83 HTT (0.63) MAPTALDH1A1LMNAHTTCA2
SCHEMBL27510250 0.80 MAPT (0.57) CYP19A1MAPTALDH1A1KMT2ALMNA
SCHEMBL2084753 0.80 HTT (0.67) CYP19A1MAPTALDH1A1KMT2ALMNA
SCHEMBL30365378 0.79 MAPT (0.62) CYP19A1MAPTALDH1A1KMT2ALMNA
SCHEMBL4238772 0.79 MAPT (0.62) CYP19A1MAPTALDH1A1KMT2ALMNA
SCHEMBL4074552 0.78 KMT2A (0.51) CYP19A1MAPTALDH1A1KMT2ALMNA
SCHEMBL30962745 0.78 KMT2A (0.51) CYP19A1MAPTALDH1A1KMT2ALMNA
SCHEMBL4233807 0.78 ALDH1A1 (0.53) MAPTALDH1A1KMT2ALMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN CYP19A1 392/4885MAPT 4709/4885ALDH1A1 1151/4885

“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.