SCHEMBL16701560

SCHEMBL16701560

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 14/20 0.67
▸ ABCC1 P33527 13/20 0.59
▸ NPC1 O15118 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.51
▸ HSP90AB1 P08238 1/20 0.51

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
SCHEMBL16701487 0.87 ABCB1 (0.59) ABCB1ABCC1NPC1MAPTMAPK1
SCHEMBL16701866 0.85 MAPT (0.52) MAPTHSP90AA1HSP90AB1
SCHEMBL23969920 0.85 ABCB1 (0.56) ABCB1ABCC1NPC1MAPTMAPK1
SCHEMBL16701809 0.84 HSP90AA1 (0.59) ABCB1ABCC1NPC1MAPTMAPK1
SCHEMBL16701391 0.82 PLAU (0.65) NPC1MAPK1RAB9ASMN1; SMN2HSP90AA1
SCHEMBL16180113 0.80 ABCB1 (1.00) ABCB1ABCC1
SCHEMBL16701548 0.78 TRPV1 (0.63) NPC1RAB9ASMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL16701553 0.78 MEN1 (0.62) NPC1MAPTRAB9ASMN1; SMN2HSP90AA1
SCHEMBL16702332 0.76 HSP90AA1 (0.58) ABCB1MAPTHSP90AA1HSP90AB1
SCHEMBL16180282 0.76 ABCB1 (1.00) ABCB1ABCC1NPC1MAPTMAPK1

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 6 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
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
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 ABCB1 55/4885ABCC1 220/4885NPC1 1414/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P ABCB1 55/4885ABCC1 220/4885NPC1 1414/4885

“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.

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