SCHEMBL16701937

SCHEMBL16701937

Cc1cc(-c2ccc([N+](=O)[O-])cc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.51
HSD17B2 P37059 3/20 0.51
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
GPR35 Q9HC97 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA14 Q9ULX7 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
ACHE P22303 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.46

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
SCHEMBL61129 0.85 ALDH1A1 (0.67) ALDH1A1TSHRGPR35TP53HPGD
SCHEMBL16076897 0.85 TSHR (0.56) HSD17B1HSD17B2ALDH1A1TSHRTHRB
SCHEMBL9807385 0.84 ALDH1A1 (0.53) ALDH1A1TSHRGPR35MAPK1SMN1; SMN2
SCHEMBL28298962 0.83 ALDH1A1 (0.64) ALDH1A1TSHRGPR35TP53HPGD
SCHEMBL9247312 0.82 TSHR (0.53) HSD17B1HSD17B2ALDH1A1TSHRGPR35
SCHEMBL27524163 0.81 MAPT (0.59) ALDH1A1TSHRGPR35TP53HPGD
SCHEMBL13589555 0.80 HSD17B1 (0.72) HSD17B1HSD17B2TP53TDP1ESR2
SCHEMBL3811825 0.80 HSD17B1 (0.72) HSD17B1HSD17B2TP53TDP1ESR2
SCHEMBL16712983 0.79 ESR2 (0.56) HSD17B1HSD17B2ALDH1A1TSHRGPR35
SCHEMBL1747927 0.78 MAPK1 (0.56) ALDH1A1TSHRMAPK1SMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
EP-3066072-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS The University of Kansas (US) 2016-09-14 EP disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
US-8692018-B2 Application of iridium complexes in asymmetric catalytic hydrogenation of unsaturated carboxylic acids Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-04-08 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 (2 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-10689344-B2 Biphenylamide derivative Hsp90 inhibitors HSP90AB1, HSP90AA1, HSP90AB2P HSD17B1 715/4885HSD17B2 909/4885ALDH1A1 847/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSD17B1 715/4885HSD17B2 909/4885ALDH1A1 847/4885

“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.