SCHEMBL16701482

SCHEMBL16701482

COc1cccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
PKM P14618 2/20 0.57
LMNA P02545 2/20 0.57
QSOX1 O00391 1/20 0.57
TP53 P04637 4/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
PLAU P00749 4/20 0.55
PLG P00747 2/20 0.55
PLAT P00750 2/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL16701805 0.95 PLAU (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16701658 0.93 MEN1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL23969927 0.88 KDR (0.54) KDRWNT1GSK3BDYRK1A
SCHEMBL16701545 0.88 KDR (0.54) NPC1RAB9ASMN1; SMN2PLAUPLG
SCHEMBL16701940 0.88 RAB9A (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16701388 0.88 HSP90AA1 (0.62) NPC1RAB9APLAUPLGPLAT
SCHEMBL16712917 0.88 PLAU (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16701711 0.88 KDR (0.53) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL16701461 0.87 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KDRWNT1
SCHEMBL16712914 0.87 HSP90AA1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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 NPC1 1414/4885RAB9A 2464/4885SMN1; SMN2 3010/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P NPC1 1414/4885RAB9A 2464/4885SMN1; SMN2 3010/4885

“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.