SCHEMBL16701690

SCHEMBL16701690

CN1CCC(Oc2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
VCAM1 P19320 1/20 0.40
CHEK2 O96017 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 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
SCHEMBL16701561 0.87 LMNA (0.52) HRH3SMN1; SMN2LMNATLR9TLR8
SCHEMBL16701931 0.85 SIRT6 (0.53) HRH3SMN1; SMN2LMNATLR9TLR8
SCHEMBL23969975 0.81 MAPT (0.44) HRH3SMN1; SMN2LMNATLR9TLR8
SCHEMBL956959 0.81 MAOA (0.48) HRH3NOS3NOS1NOS2SMN1; SMN2
SCHEMBL16701629 0.79 TGFBR1 (0.45) HRH3SMN1; SMN2LMNACHEK2TGFBR1
SCHEMBL25725414 0.79 LMNA (0.58) HRH3SMN1; SMN2LMNAMAOAMAOB
SCHEMBL16701811 0.79 UTS2R (0.45) SMN1; SMN2TSHRMAPTFPR2PROKR1
SCHEMBL22348656 0.78 MAPT (0.54) HRH3NOS3NOS1NOS2SMN1; SMN2
SCHEMBL30880140 0.78 MAPT (0.54) HRH3NOS3NOS1NOS2SMN1; SMN2
SCHEMBL16514882 0.78 MAOA (0.45) HRH3NOS3NOS1NOS2SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH3 1161/4885NOS3 4171/4885NOS1 3569/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HRH3 1161/4885NOS3 4171/4885NOS1 3569/4885

“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.