SCHEMBL16701866

SCHEMBL16701866

COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(O)cc4)c([N+](=O)[O-])c3)ccc2OC)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.50
▸ HSP90AB1 P08238 1/20 0.50
▸ HPSE Q9Y251 1/20 0.49
▸ PLG P00747 1/20 0.49
▸ PLAU P00749 1/20 0.49
▸ PLAT P00750 1/20 0.49
▸ PGR P06401 1/20 0.49
▸ AR P10275 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL16701553 0.86 MEN1 (0.62) MAPTMEN1POLBKMT2AHSP90AA1
SCHEMBL16701391 0.86 PLAU (0.65) MEN1POLBKMT2AHSP90AA1HSP90AB1
SCHEMBL23970039 0.85 CTNNB1 (0.48) —
SCHEMBL16701560 0.85 ABCB1 (0.67) MAPTHSP90AA1HSP90AB1
SCHEMBL16701503 0.84 HSP90AA1 (0.55) MAPTMEN1POLBKMT2AHSP90AA1
SCHEMBL16701548 0.84 TRPV1 (0.63) MEN1POLBKMT2AHSP90AA1HSP90AB1
SCHEMBL28679471 0.82 PLAU (0.50) MAPTPOLBHSP90AA1HSP90AB1HPSE
SCHEMBL23969919 0.82 PLG (0.46) HSP90AA1HSP90AB1PLGPLAUPLAT
SCHEMBL16701849 0.81 HSP90AA1 (0.55) MAPTMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL22529667 0.79 PLAU (0.51) MEN1POLBKMT2AHSP90AA1HSP90AB1

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 MAPT 1299/4885MEN1 2637/4885POLB 1971/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P MAPT 1299/4885MEN1 2637/4885POLB 1971/4885

“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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