SCHEMBL16701475

SCHEMBL16701475

COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.57
PLAU P00749 1/20 0.57
PLAT P00750 1/20 0.57
ABCB1 P08183 2/20 0.54
ABCC1 P33527 1/20 0.53
ALDH1A1 P00352 7/20 0.51
MAPT P10636 5/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HSP90AA1 P07900 2/20 0.51
HSP90AB1 P08238 2/20 0.51
LCK P06239 1/20 0.49
KDR P35968 1/20 0.49
MAPK14 Q16539 1/20 0.49
SETD7 Q8WTS6 1/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
RAD52 P43351 1/20 0.45

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
SCHEMBL16701388 0.88 HSP90AA1 (0.62) PLGPLAUPLATNPC1RAB9A
SCHEMBL23970045 0.88 HSP90AA1 (0.56) PLGPLAUPLATNPC1RAB9A
SCHEMBL16701861 0.88 HSP90AA1 (0.61) PLGPLAUPLATNPC1RAB9A
SCHEMBL16701401 0.88 HSP90AA1 (0.54) PLGPLAUPLATNPC1RAB9A
SCHEMBL16701670 0.87 MAPK14 (0.53) PLAUABCC1ALDH1A1NPC1RAB9A
SCHEMBL16701378 0.87 HSP90AA1 (0.53) PLGPLAUPLATABCB1NPC1
SCHEMBL16701902 0.86 BCL9 (0.53) PLGPLAUPLATNPC1RAB9A
SCHEMBL16701479 0.86 MAPK14 (0.55) PLAUPLATALDH1A1NPC1RAB9A
SCHEMBL16701503 0.86 HSP90AA1 (0.55) PLGPLAUPLATALDH1A1MAPT
SCHEMBL16701849 0.86 HSP90AA1 (0.55) PLGPLAUPLATALDH1A1MAPT

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 8 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-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

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 PLG 4537/4885PLAU 4810/4885PLAT 4154/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P PLG 4537/4885PLAU 4810/4885PLAT 4154/4885

“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.