SCHEMBL16712949

SCHEMBL16712949

COc1ccc(C(C)C)cc1-c1cccc(NC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KIT P10721 1/20 0.49
CTSA P10619 5/20 0.48
MAPK1 P28482 1/20 0.48
FYN P06241 4/20 0.47
BRAF P15056 4/20 0.47
NQO2 P16083 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL14003503 0.83 HSD17B10 (0.56) POLBKITMAPK1FYNBRAF
SCHEMBL6742199 0.80 ALDH1A1 (0.52) POLBKITMAPK1FYNBRAF
SCHEMBL22130625 0.80 KMT2A (0.55) POLBKITMAPK1FYNBRAF
SCHEMBL13986211 0.80 NQO2 (0.55) POLBNQO2MEN1KMT2AMAPT
SCHEMBL16710317 0.79 CTSA (0.49) CTSA
SCHEMBL12919978 0.78 CYP17A1 (0.60) NQO2MEN1KMT2A
SCHEMBL16710321 0.77 CTSA (0.49) CTSAFYN
SCHEMBL104492 0.76 ALDH1A1 (0.59) POLBMEN1KMT2A
SCHEMBL18084774 0.76 CTSA (0.50) KITCTSAMEN1KMT2A
SCHEMBL6934499 0.76 HDAC4 (0.50) CTSA

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 2 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
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 (1 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 POLB 1971/4885KIT 4727/4885CTSA 2610/4885

“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.