SCHEMBL16701642

SCHEMBL16701642

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.46
ACVR1 Q04771 1/20 0.46
ACHE P22303 1/20 0.45
HRH3 Q9Y5N1 4/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HTR1A P08908 1/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHEK2 O96017 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 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
SCHEMBL16701708 0.93 MAOA (0.44) TGFBR1ACVR1ACHEHRH3MAOA
SCHEMBL16701629 0.87 TGFBR1 (0.45) TGFBR1ACVR1ACHEHRH3ALDH1A1
SCHEMBL16701472 0.87 TGFBR1 (0.53) TGFBR1ACVR1ACHEHRH3ALDH1A1
SCHEMBL3274096 0.84 HRH3 (0.55) ACHEHRH3MAOAMAOBALDH1A1
SCHEMBL16701563 0.83 TGFBR1 (0.43) TGFBR1ACVR1ACHEHRH3MAOA
SCHEMBL16701368 0.83 TGFBR1 (0.50) TGFBR1ACVR1ACHEHRH3MAOA
SCHEMBL13419604 0.80 ALDH1A1 (0.46) ACHEALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL16701561 0.79 LMNA (0.52) TGFBR1ACVR1HRH3MAOAMAOB
SCHEMBL1830606 0.77 POLB (0.49) ACHEHRH3ALDH1A1LMNASMN1; SMN2
SCHEMBL374672 0.76 SLC6A2 (0.60) HRH3MAOAMAOBLMNASMN1; 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 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 TGFBR1 1263/4885ACVR1 3892/4885ACHE 4813/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P TGFBR1 1263/4885ACVR1 3892/4885ACHE 4813/4885

“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.