SCHEMBL14770624

SCHEMBL14770624

COc1ccc(C(C)c2nc3c(F)cc(Cl)cc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 2/20 0.40
▸ APP P05067 2/20 0.34
▸ COMT P21964 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2E1 P05181 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ BRS3 P32247 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ LTC4S Q16873 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33

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
SCHEMBL14770708 0.87 MLKL (0.42) AMY1AAPPCYP3A4GRIN2DGRIN3B
SCHEMBL14770628 0.85 NUDT1 (0.37) AMY1ACOMTCYP2C19CYP1A2CYP2E1
SCHEMBL14770642 0.81 PARP1 (0.40) GAA
SCHEMBL14770630 0.77 AMY1A (0.42) AMY1ACOMTCYP2C19CYP1A2CYP2E1
SCHEMBL14770550 0.76 FLT3 (0.40) AMY1ACYP2C19CYP1A2CYP2E1CYP3A4
SCHEMBL14770492 0.73 AMY1A (0.41) AMY1ACOMTPTGESALOX5LTC4S
SCHEMBL14770674 0.72 SMN1; SMN2 (0.56) PTGESALOX5LTC4SGAA
SCHEMBL14770549 0.72 ALDH1A1 (0.42) COMTCYP2C19CYP1A2CYP2E1CYP3A4
SCHEMBL23676458 0.72 HSD17B10 (0.41) AMY1ACYP2C19CYP1A2CYP2E1CYP3A4
SCHEMBL14770519 0.72 MAPK1 (0.38) COMTCYP2C19CYP1A2CYP2E1CYP3A4

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 4661/4885APP 2799/4885COMT 4163/4885

“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.

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