SCHEMBL16712946

SCHEMBL16712946

COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OCCN(C)C)cc4)cc3)ccc2OC)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.61
PLAU P00749 5/20 0.58
PLG P00747 2/20 0.58
PLAT P00750 2/20 0.58
KDR P35968 3/20 0.57
ABL1 P00519 2/20 0.55
BCR P11274 2/20 0.55
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR1D P28221 1/20 0.49
HTR1B P28222 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
SCHEMBL16702047 0.95 KDR (0.60) MCHR1PLAUPLGPLATKDR
SCHEMBL6927530 0.84 MCHR1 (0.76) MCHR1PLAUPLGPLATKDR
SCHEMBL16701391 0.83 PLAU (0.65) PLAUPLGPLATABL1CYP1A2
SCHEMBL29460661 0.83 MCHR1 (0.49) MCHR1PLAUPLGPLATKDR
SCHEMBL22529542 0.83 MCHR1 (0.49) MCHR1PLAUPLGPLATKDR
SCHEMBL16701707 0.82 PLAU (0.52) MCHR1PLAUPLGPLATKDR
SCHEMBL22548017 0.82 MCHR1 (0.47) MCHR1PLAUPLGPLATKDR
SCHEMBL16701635 0.80 PLAU (0.49) MCHR1PLAUPLGPLATABL1
SCHEMBL6921976 0.80 MCHR1 (0.77) MCHR1KDRHRH3
SCHEMBL22529539 0.79 MCHR1 (0.45) MCHR1PLAUPLGPLATKDR

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 4 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
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 MCHR1 3302/4885PLAU 4810/4885PLG 4537/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P MCHR1 3302/4885PLAU 4810/4885PLG 4537/4885

“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.