SCHEMBL16701553

SCHEMBL16701553

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

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ MAPT P10636 3/20 0.62
▸ POLB P06746 1/20 0.62
▸ HSP90AA1 P07900 1/20 0.52
▸ HSP90AB1 P08238 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ SETD7 Q8WTS6 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
SCHEMBL16701866 0.86 MAPT (0.52) MEN1KMT2AMAPTPOLBHSP90AA1
SCHEMBL3645711 0.84 JAK2 (0.64) —
SCHEMBL16701487 0.83 ABCB1 (0.59) MEN1KMT2AMAPTHSP90AA1HSP90AB1
SCHEMBL23970039 0.79 CTNNB1 (0.48) —
SCHEMBL16701503 0.78 HSP90AA1 (0.55) MEN1KMT2AMAPTPOLBHSP90AA1
SCHEMBL16701391 0.78 PLAU (0.65) MEN1KMT2APOLBHSP90AA1HSP90AB1
SCHEMBL16701560 0.78 ABCB1 (0.67) MAPTHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL16702332 0.76 HSP90AA1 (0.58) MEN1KMT2AMAPTHSP90AA1HSP90AB1
SCHEMBL16701548 0.76 TRPV1 (0.63) MEN1KMT2APOLBHSP90AA1HSP90AB1
SCHEMBL23969919 0.76 PLG (0.46) HSP90AA1HSP90AB1ALDH1A1CYP3A4TSHR

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 5 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

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 MEN1 2637/4885KMT2A 3029/4885MAPT 1299/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P MEN1 2637/4885KMT2A 3029/4885MAPT 1299/4885

“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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