SCHEMBL16701940

SCHEMBL16701940

COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
NPC1 O15118 5/20 0.62
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 2/20 0.55
NR4A1 P22736 1/20 0.55
MCL1 Q07820 1/20 0.55
PLAU P00749 1/20 0.54
MAPK14 Q16539 2/20 0.53
LCK P06239 1/20 0.53
KDR P35968 1/20 0.53
DYRK1A Q13627 3/20 0.52
GSK3B P49841 2/20 0.52
CLK2 P49760 2/20 0.52
CLK3 P49761 2/20 0.52
WNT1 P04628 1/20 0.52
GAA P10253 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
SCHEMBL16712951 0.93 RAB9A (0.62) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL16702122 0.91 SCN1A (0.57) RAB9ANPC1MAPK14LCKKDR
SCHEMBL16701407 0.91 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL16701405 0.90 RAB9A (0.62) RAB9ANPC1KMT2AMAPK14LCK
SCHEMBL16701477 0.90 LCK (0.52) RAB9ANPC1KMT2AMAPTMAPK14
SCHEMBL23969958 0.90 DYRK1A (0.52) RAB9ANPC1KMT2AMAPK14LCK
SCHEMBL16701626 0.90 LCK (0.52) RAB9ANPC1KMT2AMAPK14LCK
SCHEMBL16701461 0.89 NPC1 (0.55) RAB9ANPC1SMN1; SMN2MAPK14LCK
SCHEMBL16701543 0.89 ADORA3 (0.65) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL16701479 0.89 MAPK14 (0.55) RAB9ANPC1TP53SMN1; SMN2ALDH1A1

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
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
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 RAB9A 2464/4885NPC1 1414/4885TP53 76/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P RAB9A 2464/4885NPC1 1414/4885TP53 76/4885

“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.