SCHEMBL16701708

SCHEMBL16701708

Cc1cc(OC2CCN(C)CC2)ccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 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
ACHE P22303 1/20 0.42
LMNA P02545 3/20 0.41
HRH3 Q9Y5N1 2/20 0.40
SIRT6 Q8N6T7 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL16701642 0.93 TGFBR1 (0.46) MAOAMAOBTGFBR1ACVR1POLB
SCHEMBL16701563 0.87 TGFBR1 (0.43) MAOAMAOBTGFBR1ACVR1POLB
SCHEMBL16701368 0.87 TGFBR1 (0.50) MAOAMAOBTGFBR1ACVR1POLB
SCHEMBL3274096 0.84 HRH3 (0.55) MAOAMAOBPOLBNPC1RAB9A
SCHEMBL16701629 0.83 TGFBR1 (0.45) TGFBR1ACVR1POLBNPC1RAB9A
SCHEMBL16701472 0.83 TGFBR1 (0.53) TGFBR1ACVR1ACHEHRH3MAPT
SCHEMBL25725414 0.80 LMNA (0.58) MAOAMAOBPOLBNPC1RAB9A
SCHEMBL16701364 0.79 SIRT6 (0.42) POLBNPC1RAB9AL3MBTL1ACHE
SCHEMBL1830606 0.77 POLB (0.49) POLBNPC1RAB9AL3MBTL1ACHE
SCHEMBL16701425 0.77 ACVR1 (0.44) TGFBR1ACVR1POLBNPC1RAB9A

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 7 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

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 MAOA 2157/4885MAOB 2266/4885TGFBR1 1263/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P MAOA 2157/4885MAOB 2266/4885TGFBR1 1263/4885

“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.