SCHEMBL14770628

SCHEMBL14770628

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.37
▸ BRS3 P32247 1/20 0.35
▸ COMT P21964 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
▸ CYP2C19 P33261 1/20 0.34
▸ AMY1A P0DUB6 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ LTC4S Q16873 1/20 0.33
▸ PTGS2 P35354 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

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
SCHEMBL14770624 0.85 AMY1A (0.40) NUDT1BRS3COMTCYP1A2CYP2E1
SCHEMBL14770550 0.76 FLT3 (0.40) BRS3CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL14770549 0.72 ALDH1A1 (0.42) BRS3COMTCYP1A2CYP2E1CYP3A4
SCHEMBL14770708 0.72 MLKL (0.42) CYP3A4AMY1AGRIN2DGRIN3BGRIN1
SCHEMBL14770519 0.72 MAPK1 (0.38) BRS3COMTCYP1A2CYP2E1CYP3A4
SCHEMBL14770642 0.71 PARP1 (0.40) PTGS2
SCHEMBL12066024 0.71 SCN10A (0.36) GRIN2B
SCHEMBL14770674 0.70 SMN1; SMN2 (0.56) PTGESALOX5LTC4S
SCHEMBL14770520 0.69 BRS3 (0.38) BRS3COMTCYP1A2CYP2E1CYP3A4
SCHEMBL14770630 0.69 AMY1A (0.42) BRS3COMTCYP1A2CYP2E1CYP3A4

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 NUDT1 2310/4885BRS3 445/4885COMT 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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