SCHEMBL12514132

SCHEMBL12514132

CNc1cccc(C(=O)NCCN2CCOCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.73
▸ CYP2C19 P33261 2/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ POLB P06746 2/20 0.65
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ CD274 Q9NZQ7 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ MAOA P21397 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ ERN1 O75460 1/20 0.58
▸ GRK2 P25098 1/20 0.56

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
SCHEMBL279958 0.85 CYP2C19 (0.72) EPHX2CYP2C19CYP2C9POLBCYP1A2
SCHEMBL14139926 0.85 CD274 (0.71) EPHX2POLBCD274HPGDALDH1A1
SCHEMBL9312796 0.84 CYP2C19 (0.70) EPHX2CYP2C19CYP2C9POLBCYP1A2
SCHEMBL9312802 0.84 CYP2C19 (0.71) EPHX2CYP2C19CYP2C9POLBCYP1A2
SCHEMBL10264071 0.83 CYP2C19 (0.69) EPHX2CYP2C19CYP2C9POLBCYP1A2
SCHEMBL29584690 0.82 CYP2C19 (0.69) EPHX2CYP2C19CYP2C9POLBCYP1A2
SCHEMBL2720343 0.82 CYP2C19 (0.69) EPHX2CYP2C19CYP2C9POLBCYP1A2
SCHEMBL4572822 0.82 CYP2C19 (0.69) EPHX2CYP2C19CYP2C9POLBCYP1A2
SCHEMBL15822962 0.82 CYP2C19 (1.00) CYP2C19CYP2C9POLBCYP1A2CYP2D6
SCHEMBL30098940 0.82 CYP2C19 (1.00) CYP2C19CYP2C9POLBCYP1A2CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2011-07-21 — — 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-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS CASP3, BCL3, ME3 EPHX2 3147/4885CYP2C19 2108/4885CYP2C9 2195/4885

“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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