SCHEMBL16701487

SCHEMBL16701487

COc1cccc(-c2cc(C(=O)Nc3ccc(Br)cc3[N+](=O)[O-])ccc2OC)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.59
▸ ABCC1 P33527 4/20 0.59
▸ MAPT P10636 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PKM P14618 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.52
▸ HSP90AB1 P08238 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL16701560 0.87 ABCB1 (0.67) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL16701553 0.83 MEN1 (0.62) MAPTNPC1RAB9ASMN1; SMN2HSP90AA1
SCHEMBL23969920 0.80 ABCB1 (0.56) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL16701809 0.79 HSP90AA1 (0.59) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL16423880 0.78 ABCB1 (0.74) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL16701866 0.77 MAPT (0.52) MAPTHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL16180113 0.74 ABCB1 (1.00) ABCB1ABCC1ALDH1A1
SCHEMBL20356916 0.73 ABCB1 (0.79) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL6353682 0.73 AKR1C2 (0.71) ABCB1ABCC1MAPTMEN1KMT2A
SCHEMBL5834738 0.72 ABCB1 (0.63) ABCB1ABCC1MAPTNPC1RAB9A

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 5 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
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

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 ABCB1 55/4885ABCC1 220/4885MAPT 1299/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P ABCB1 55/4885ABCC1 220/4885MAPT 1299/4885

“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.

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