SCHEMBL16701543

SCHEMBL16701543

COc1ccc(C(=O)Nc2cccc(-c3ccc(OC4CCN(C)CC4)cc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.65
TRPV1 Q8NER1 1/20 0.56
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
KCNK9 Q9NPC2 1/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
POLB P06746 2/20 0.52
WNT1 P04628 1/20 0.51
CLK2 P49760 1/20 0.51
CLK3 P49761 1/20 0.51
GSK3B P49841 1/20 0.51
DYRK1A Q13627 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
SCHEMBL16701557 0.94 ADORA3 (0.61) ADORA3TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL16701658 0.92 MEN1 (0.64) ADORA3TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL16701480 0.92 SMN1; SMN2 (0.55) ADORA3TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL16701865 0.92 ADORA3 (0.58) ADORA3TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL23969988 0.91 ADORA3 (0.52) ADORA3TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL16702115 0.91 WNT1 (0.53) ADORA3TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL16702061 0.91 SMN1; SMN2 (0.54) ADORA3TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL16701473 0.90 ADORA3 (0.51) ADORA3TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL16701940 0.89 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL16712908 0.88 PLAU (0.54) ADORA3NPC1RAB9AKMT2AMEN1

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 10 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-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
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 ADORA3 3088/4885TRPV1 3393/4885NPC1 1414/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P ADORA3 3088/4885TRPV1 3393/4885NPC1 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.