SCHEMBL16701533

SCHEMBL16701533

COc1cc(-c2ccc([N+](=O)[O-])cc2)ccc1OC1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
ABCB1 P08183 1/20 0.45
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
HTR1A P08908 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP19A1 P11511 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 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
SCHEMBL5254187 0.90 HTT (0.49) HTR1ASMN1; SMN2CYP19A1PTGS2MEN1
SCHEMBL16701364 0.87 SIRT6 (0.42) HTR1ASMN1; SMN2CYP19A1PTGS2MEN1
SCHEMBL16701811 0.86 UTS2R (0.45) SMN1; SMN2CYP19A1PTGS2MEN1MAPT
SCHEMBL5822951 0.83 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL16701368 0.81 TGFBR1 (0.50) TLR9TLR8TLR7PDE4APDE4B
SCHEMBL16701931 0.80 SIRT6 (0.53) TLR9TLR8TLR7PIK3CDPIK3CA
SCHEMBL16701472 0.79 TGFBR1 (0.53) TLR9TLR8TLR7HTR1ASMN1; SMN2
SCHEMBL7034412 0.79 HTT (0.48) PIK3CDPIK3CAPIK3CBPIK3CGHTR1A
SCHEMBL27969541 0.79 PTGS2 (0.64) TLR9ABCB1PDGFRBPDGFRASMN1; SMN2
SCHEMBL13419604 0.79 ALDH1A1 (0.46) HTR1ASMN1; SMN2CYP19A1PTGS2MEN1

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 TLR9 4485/4885TLR8 4390/4885TLR7 4430/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P TLR9 4485/4885TLR8 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.