SCHEMBL16701425

SCHEMBL16701425

CN1CCC(Oc2ccc(-c3ccc([N+](=O)[O-])cc3)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 3/20 0.44
BMPR1B O00238 2/20 0.44
BMPR1A P36894 2/20 0.44
ACVRL1 P37023 2/20 0.44
CHRNA7 P36544 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACVR1B P36896 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HRH3 Q9Y5N1 5/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL3274096 0.84 HRH3 (0.55) POLBNPC1RAB9AL3MBTL1HRH3
SCHEMBL20758198 0.80 MAPT (0.49) POLBRAB9AHRH3MAPTSMN1; SMN2
SCHEMBL23969991 0.80 CHRNA7 (0.48) ACVR1BMPR1BBMPR1AACVRL1CHRNA7
SCHEMBL16712999 0.79 TDO2 (0.49) POLBHRH4HRH3MAPTSMN1; SMN2
SCHEMBL1830606 0.77 POLB (0.49) POLBNPC1RAB9AL3MBTL1HRH3
SCHEMBL16701708 0.77 MAOA (0.44) ACVR1POLBNPC1RAB9AL3MBTL1
SCHEMBL16701368 0.76 TGFBR1 (0.50) ACVR1POLBNPC1RAB9AL3MBTL1
SCHEMBL16701563 0.76 TGFBR1 (0.43) ACVR1POLBNPC1RAB9AL3MBTL1
SCHEMBL21814290 0.75 KMT2A (0.53) POLBL3MBTL1HRH3MAPTLMNA
SCHEMBL2814281 0.75 MAPT (0.48) POLBL3MBTL1HRH3MAPTALDH1A1

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 9 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
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 ACVR1 3892/4885BMPR1B 3542/4885BMPR1A 2165/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P ACVR1 3892/4885BMPR1B 3542/4885BMPR1A 2165/4885

“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.