SCHEMBL19084232

SCHEMBL19084232

O=[N+]([O-])c1cc2c(cc1O)-c1ccccc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 3/20 0.61
TP53 P04637 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
STAT6 P42226 1/20 0.61
HIF1A Q16665 1/20 0.61
PHLPP2 Q6ZVD8 1/20 0.61
HSP90AA1 P07900 2/20 0.51
CDK5 Q00535 2/20 0.51
CDK5R1 Q15078 2/20 0.51
GPR35 Q9HC97 4/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL3698304 0.91 TP53 (0.77) ALDH1A1MAPK1TP53HSD17B10CYP1A2
SCHEMBL21291914 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1TP53HSD17B10CYP1A2
SCHEMBL17443143 0.78 MAPK1 (0.44) ALDH1A1MAPK1TP53HSD17B10CYP1A2
SCHEMBL11835122 0.78 GPR35 (0.60) ALDH1A1MAPK1TP53HSD17B10CYP1A2
SCHEMBL8738471 0.76 ALDH1A1 (1.00) ALDH1A1MAPK1TP53HSD17B10CYP1A2
SCHEMBL70180 0.75 GPR35 (0.58) ALDH1A1MAPK1TP53HSD17B10CYP1A2
SCHEMBL7027831 0.73 GPR35 (0.50) ALDH1A1MAPK1TP53HSD17B10CYP1A2
SCHEMBL5707256 0.73 ALDH1A1 (0.59) ALDH1A1MAPK1HSD17B10HSP90AA1GPR35
SCHEMBL227018 0.73 GPR35 (0.56) ALDH1A1MAPK1TP53HSD17B10CYP1A2
SCHEMBL16974397 0.73 GPR35 (0.56) ALDH1A1MAPK1TP53HSD17B10CYP1A2

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 ALDH1A1 540/4885MAPK1 3644/4885TP53 2789/4885

“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.