SCHEMBL16701563

SCHEMBL16701563

CN1CCC(Oc2ccc(-c3ccc([N+](=O)[O-])cc3)c(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
ACHE P22303 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCD O00767 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL16701629 0.93 TGFBR1 (0.45) TGFBR1ACVR1L3MBTL1NPC1POLB
SCHEMBL16701708 0.87 MAOA (0.44) TGFBR1ACVR1L3MBTL1NPC1POLB
SCHEMBL16701368 0.86 TGFBR1 (0.50) TGFBR1ACVR1L3MBTL1NPC1POLB
SCHEMBL16701642 0.83 TGFBR1 (0.46) TGFBR1ACVR1L3MBTL1NPC1POLB
SCHEMBL3274096 0.83 HRH3 (0.55) L3MBTL1NPC1POLBRAB9AACHE
SCHEMBL16701472 0.82 TGFBR1 (0.53) TGFBR1ACVR1ACHEHRH3MAPT
SCHEMBL16701811 0.79 UTS2R (0.45) POLBACHEMAPTMEN1KMT2A
SCHEMBL16701690 0.77 HRH3 (0.44) TGFBR1ACVR1MAOAMAOBHRH3
SCHEMBL1830606 0.76 POLB (0.49) L3MBTL1NPC1POLBRAB9AACHE
SCHEMBL16701425 0.76 ACVR1 (0.44) TGFBR1ACVR1L3MBTL1NPC1POLB

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
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 TGFBR1 1263/4885ACVR1 3892/4885L3MBTL1 1447/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P TGFBR1 1263/4885ACVR1 3892/4885L3MBTL1 1447/4885

“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.