SCHEMBL19084233

SCHEMBL19084233

O=[N+]([O-])c1cc2c(cc1O)C1C=CC=CC21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
SNCA P37840 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL11835122 0.75 GPR35 (0.60) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL6996866 0.73 GPR35 (0.42) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL70180 0.73 GPR35 (0.58) GPR35MAPK1ALDH1A1HPGDTP53
Potassium SCHEMBL30132355 0.71 GPR35 (0.56) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL16974397 0.71 GPR35 (0.56) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL227018 0.71 GPR35 (0.56) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL30427268 0.71 GPR35 (0.56) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL10575433 0.71 SNCA (0.61) GPR35MAPK1ALDH1A1HPGDTP53
Hydrochloric Acid SCHEMBL28623609 0.71 GPR35 (0.56) GPR35MAPK1ALDH1A1HPGDTP53
Barium SCHEMBL30132382 0.71 GPR35 (0.56) GPR35MAPK1ALDH1A1HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190842-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2017-07-06 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-20170190842-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE ALKBH3, AOC1, PAM GPR35 1417/4885MAPK1 3644/4885ALDH1A1 540/4885

“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.