SCHEMBL17320642

SCHEMBL17320642

Cc1cc(CO)c(CO)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.53
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SNCA P37840 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9098889 0.89 GPR35 (0.61) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL19785780 0.84 GPR35 (0.55) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL29613564 0.84 GPR35 (0.55) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL8065995 0.82 GPR35 (0.69) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL26997933 0.78 TTR (0.59) GPR35TSHRALDH1A1MAPTTDP1
SCHEMBL31672310 0.76 TSHR (0.60) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL68019 0.76 TSHR (0.60) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL95377 0.76 TSHR (0.60) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL12622553 0.76 ALDH1A1 (0.45) ALDH1A1CYP2C9CYP2C19KDM4ESMN1; SMN2
SCHEMBL1668404 0.72 HTT (0.51) GPR35TSHRCYP3A4ALDH1A1MAPT

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-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2015-12-10 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-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE XDH, PNPO, AOX1 GPR35 3170/4885TSHR 4290/4885CYP3A4 346/4885

“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.