SCHEMBL16701809

SCHEMBL16701809

COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3[N+](=O)[O-])ccc2OC)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.59
HSP90AB1 P08238 3/20 0.59
ABCB1 P08183 10/20 0.56
ABCC1 P33527 7/20 0.49
PDE5A O76074 1/20 0.49
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SLC2A1 P11166 1/20 0.46
HTT P42858 1/20 0.44
WDR5 P61964 1/20 0.44

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
SCHEMBL16702119 0.91 HSP90AA1 (0.65) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23969920 0.90 ABCB1 (0.56) HSP90AA1HSP90AB1ABCB1ABCC1PDE5A
SCHEMBL16702332 0.89 HSP90AA1 (0.58) HSP90AA1HSP90AB1ABCB1PDE5AMAPT
SCHEMBL16701628 0.88 HSP90AA1 (0.62) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL16702054 0.88 HSP90AA1 (0.65) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL16701710 0.88 HSP90AA1 (0.62) HSP90AA1HSP90AB1ABCB1ABCC1MAPT
SCHEMBL16701503 0.87 HSP90AA1 (0.55) HSP90AA1HSP90AB1PDE5AMAPTSMN1; SMN2
SCHEMBL16702535 0.87 HSP90AA1 (0.61) HSP90AA1HSP90AB1ABCB1ABCC1MAPT
SCHEMBL16701849 0.86 HSP90AA1 (0.55) HSP90AA1HSP90AB1PDE5AMAPTSMN1; SMN2
SCHEMBL16701830 0.86 HSP90AA1 (0.61) HSP90AA1HSP90AB1PDE5ASMN1; SMN2NPC1

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 9 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
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 HSP90AA1 2/4885HSP90AB1 1/4885ABCB1 55/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ABCB1 55/4885

“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.