SCHEMBL14770503

SCHEMBL14770503

COc1ccc(C(C)c2nc3cc(F)ccc3[nH]2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 8/20 0.42
HPSE Q9Y251 1/20 0.38
BRD4 O60885 1/20 0.37
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
AHR P35869 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL14770504 0.88 BRD4 (0.42) AMY1ABRD4ALPLALPIALPG
SCHEMBL14770490 0.87 AMY1A (0.43) AMY1AHPSEBRD4ALPLALPI
SCHEMBL14770652 0.87 MEN1 (0.37) AMY1AHPSEL3MBTL1TP53MAPT
SCHEMBL14770682 0.86 AMY1A (0.41) AMY1ABRD4ALPLALPIALPG
SCHEMBL14770650 0.84 AMY1A (0.50) AMY1AHPSEL3MBTL1TP53MAPT
SCHEMBL14770733 0.82 IDO1 (0.42) AMY1ABRD4HTR2C
SCHEMBL14770655 0.82 MEN1 (0.46) HPSETP53MAPTTSHR
SCHEMBL14770492 0.82 AMY1A (0.41) AMY1AALPLALPIALPGMAPT
SCHEMBL14770501 0.77 MLKL (0.46) BRD4ALPLALPIALPGTP53
SCHEMBL12065630 0.77 MLKL (0.41) AMY1AHPSEBRD4ALPLALPI

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-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 US 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A AMY1A 4661/4885HPSE 4805/4885BRD4 1580/4885

“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.