SCHEMBL16701658

SCHEMBL16701658

COc1cccc(C(=O)Nc2cccc(-c3ccc(OC4CCN(C)CC4)cc3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 2/20 0.64
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TRPV1 Q8NER1 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
KCNK3 O14649 2/20 0.53
KCNK9 Q9NPC2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PLG P00747 2/20 0.53
PLAU P00749 2/20 0.53
PLAT P00750 2/20 0.53
WNT1 P04628 1/20 0.52
GSK3B P49841 1/20 0.52
DYRK1A Q13627 1/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 2/20 0.52

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
SCHEMBL16701482 0.93 NPC1 (0.57) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL16701805 0.92 PLAU (0.61) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL16701543 0.92 ADORA3 (0.65) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL16701865 0.90 ADORA3 (0.58) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL16701830 0.89 HSP90AA1 (0.61) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL23969974 0.89 DYRK1A (0.49) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL16701930 0.89 SMN1; SMN2 (0.54) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL16701555 0.88 NPC1 (0.51) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL16701557 0.88 ADORA3 (0.61) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL16712908 0.86 PLAU (0.54) MEN1KMT2APOLBNPC1RAB9A

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
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 MEN1 2637/4885KMT2A 3029/4885POLB 1971/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P MEN1 2637/4885KMT2A 3029/4885POLB 1971/4885

“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.