SCHEMBL16702020

SCHEMBL16702020

CN1CCC(Oc2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
TP53 P04637 3/20 0.49
MAPT P10636 4/20 0.48
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1F P30939 1/20 0.45
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
DYRK1A Q13627 2/20 0.44
GSK3B P49841 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL18084789 0.92 RAB9A (0.51) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16701541 0.91 RAB9A (0.60) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16701395 0.90 SMO (0.53) RAB9ATP53MEN1KMT2ANPC1
SCHEMBL10267315 0.89 TP53 (0.55) RAB9ATP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL4496015 0.88 TP53 (0.54) RAB9ATP53MAPTMEN1KMT2A
SCHEMBL16702115 0.87 WNT1 (0.53) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16701555 0.87 NPC1 (0.51) RAB9ATP53MAPTMEN1KMT2A
SCHEMBL16701381 0.85 DYRK1A (0.47) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL16712912 0.84 UTS2R (0.51) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL18084797 0.83 KDR (0.52) RAB9AMEN1KMT2ANPC1KDM1A

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 11 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
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 2464/4885TP53 76/4885MAPT 1299/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P RAB9A 2464/4885TP53 76/4885MAPT 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.