SCHEMBL1394015

SCHEMBL1394015

O=C(NCCc1cnc[nH]1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.70
CYP3A4 P08684 2/20 0.65
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
HDAC1 Q13547 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
MYC P01106 1/20 0.56
GSK3B P49841 1/20 0.56
QPCT Q16769 1/20 0.56
QPCTL Q9NXS2 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
SCHEMBL19303133 0.92 KMT2A (0.67) NAMPTCYP3A4KMT2AMEN1L3MBTL1
SCHEMBL21857890 0.90 CYP3A4 (0.70) NAMPTCYP3A4KMT2AMEN1L3MBTL1
SCHEMBL14082584 0.90 NAMPT (0.59) NAMPTCYP3A4KMT2AMEN1HDAC1
SCHEMBL14082282 0.86 CYP3A4 (0.61) NAMPTCYP3A4KMT2AMEN1MYC
SCHEMBL21858046 0.82 CYP3A4 (0.67) NAMPTCYP3A4KMT2AMEN1L3MBTL1
SCHEMBL23535506 0.82 CYP3A4 (0.59) NAMPTCYP3A4KMT2AMEN1HDAC1
SCHEMBL14082155 0.81 NAMPT (0.57) NAMPTCYP3A4KMT2AMEN1MYC
SCHEMBL5553234 0.80 KMT2A (0.63) NAMPTCYP3A4KMT2AMEN1MYC
SCHEMBL14082463 0.78 KMT2A (0.58) NAMPTCYP3A4KMT2AMEN1HDAC1
SCHEMBL13403403 0.78 KMT2A (0.61) NAMPTCYP3A4KMT2AMEN1HDAC1

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-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same RIB-X PHARMACEUTICALS, INC. 2012-01-12 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-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same PCNA, AADAC, MIF NAMPT 527/4885CYP3A4 793/4885KMT2A 3910/4885

“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.