SCHEMBL14770682

SCHEMBL14770682

COc1ccc(C(C)c2nc3cc(F)ccc3[nH]2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 7/20 0.41
BRD4 O60885 2/20 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
F9 P00740 2/20 0.35
F10 P00742 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.35
IDO1 P14902 1/20 0.35
MLKL Q8NB16 1/20 0.34
BCL6 P41182 1/20 0.34

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
SCHEMBL14770671 0.87 MLKL (0.43) AMY1ABRD4ALPLALPIALPG
SCHEMBL14770698 0.87 BRS3 (0.41) L3MBTL1CYP3A4CYP2C8CYP2C9MLKL
SCHEMBL14770503 0.86 AMY1A (0.42) AMY1ABRD4ALPLALPIALPG
SCHEMBL14770685 0.84 MLKL (0.50) AMY1AL3MBTL1CYP3A4CYP2C9TSHR
SCHEMBL14770733 0.82 IDO1 (0.42) AMY1ABRD4IDO1
SCHEMBL14770492 0.82 AMY1A (0.41) AMY1AALPLALPIALPG
SCHEMBL14770547 0.78 CACNA1C (0.43) BRD4KCNH2IDO1
SCHEMBL14770501 0.77 MLKL (0.46) BRD4ALPLALPIALPGCYP3A4
SCHEMBL29212574 0.77 KDM4E (0.51) ALPLALPIALPGTSHRMLKL

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 4661/4885BRD4 1580/4885ALPL 4272/4885

“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.