SCHEMBL14082155

SCHEMBL14082155

O=C(NCCc1cnc[nH]1)c1ccc(-c2ncccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.57
KMT2A Q03164 4/20 0.53
CYP3A4 P08684 2/20 0.51
PBK Q96KB5 1/20 0.49
SMO Q99835 1/20 0.48
MEN1 O00255 3/20 0.47
TRPV1 Q8NER1 2/20 0.47
QPCT Q16769 1/20 0.46
QPCTL Q9NXS2 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MYC P01106 1/20 0.46
BRD4 O60885 1/20 0.46

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
SCHEMBL14082795 0.84 PBK (0.49) NAMPTKMT2ACYP3A4PBKSMO
SCHEMBL14082282 0.81 CYP3A4 (0.61) NAMPTKMT2ACYP3A4MEN1QPCT
SCHEMBL21857890 0.81 CYP3A4 (0.70) NAMPTKMT2ACYP3A4MEN1QPCT
SCHEMBL14082584 0.81 NAMPT (0.59) NAMPTKMT2ACYP3A4MEN1QPCT
SCHEMBL14082119 0.81 HIF1A (0.70) NAMPTTRPV1
SCHEMBL1394015 0.81 NAMPT (0.70) NAMPTKMT2ACYP3A4MEN1QPCT
SCHEMBL14082114 0.79 TRPV1 (0.56) KMT2AMEN1TRPV1
SCHEMBL14082121 0.78 TRPV1 (0.58) KMT2AMEN1TRPV1
SCHEMBL19303133 0.78 KMT2A (0.67) NAMPTKMT2ACYP3A4MEN1QPCT
SCHEMBL5553234 0.77 KMT2A (0.63) NAMPTKMT2ACYP3A4MEN1QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 NAMPT 1183/4885KMT2A 4272/4885CYP3A4 3342/4885

“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.