SCHEMBL16701931

SCHEMBL16701931

COc1cc(-c2ccc(OC3CCN(C)CC3)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.53
TLR8 Q9NR97 3/20 0.51
TLR7 Q9NYK1 3/20 0.51
TLR9 Q9NR96 2/20 0.51
TGFBR1 P36897 1/20 0.51
ACVR1 Q04771 1/20 0.51
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CHEK1 O14757 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTR6 P50406 1/20 0.41
CHEK2 O96017 1/20 0.39
POLB P06746 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 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
SCHEMBL375364 0.90 SIRT6 (0.57) SIRT6TGFBR1ACVR1LMNAALDH1A1
SCHEMBL29446151 0.90 SIRT6 (0.57) SIRT6TGFBR1ACVR1LMNAALDH1A1
SCHEMBL16701561 0.86 LMNA (0.52) TLR8TLR7TLR9TGFBR1ACVR1
SCHEMBL16701690 0.85 HRH3 (0.44) TLR8TLR7TLR9TGFBR1ACVR1
SCHEMBL1781593 0.84 SIRT6 (0.53) SIRT6LMNAALDH1A1MAPTCHEK1
SCHEMBL15994855 0.84 SIRT6 (0.53) SIRT6LMNAALDH1A1MAPTCHEK1
SCHEMBL375370 0.84 SIRT6 (0.51) SIRT6TGFBR1ACVR1LMNAALDH1A1
SCHEMBL23969975 0.81 MAPT (0.44) TLR8TLR7TLR9TGFBR1ACVR1
SCHEMBL16701472 0.81 TGFBR1 (0.53) TLR8TLR7TLR9TGFBR1ACVR1
SCHEMBL16701533 0.80 TLR9 (0.47) TLR8TLR7TLR9TGFBR1ACVR1

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 SIRT6 3288/4885TLR8 4390/4885TLR7 4430/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P SIRT6 3288/4885TLR8 4390/4885TLR7 4430/4885

“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.