SCHEMBL14770532

SCHEMBL14770532

COc1ccc2[nH]c(C(C)c3ccc(OCc4cc(F)ccc4F)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.38
CACNA1C Q13936 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
CFTR P13569 1/20 0.36
FLT3 P36888 2/20 0.35
CYP1A2 P05177 2/20 0.35
BRS3 P32247 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 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
SCHEMBL14770531 0.94 CACNA1C (0.40) CACNA1CALDH1A1GAACYP1A2CYP1A1
SCHEMBL14770526 0.91 CACNA1C (0.48) CACNA1CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14770527 0.90 CACNA1C (0.38) CACNA1CSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL14770530 0.90 CACNA1C (0.38) AMY1ACACNA1CALDH1A1GAACYP1A2
SCHEMBL14770537 0.90 CACNA1C (0.38) CACNA1CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14770538 0.89 CACNA1C (0.40) AMY1ACACNA1CALDH1A1GAACYP1A2
SCHEMBL14770528 0.88 NPC1 (0.42) CACNA1CSMN1; SMN2NPC1RAB9AGAA
SCHEMBL14770529 0.87 FFAR1 (0.38) CACNA1CSMN1; SMN2CYP1A2CYP1A1CYP1B1
SCHEMBL12066011 0.87 CACNA1C (0.40) AMY1ACACNA1CSMN1; SMN2NPC1RAB9A
SCHEMBL14770544 0.85 AMY1A (0.37) AMY1ACACNA1CSMN1; SMN2NPC1RAB9A

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 4661/4885CACNA1C 16/4885SMN1; SMN2 1964/4885

“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.