SCHEMBL3701751

SCHEMBL3701751

COC(=O)c1ccc(NC(=O)N2CCc3ccccc3C2)nc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.56
RAB9A P51151 9/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 8/20 0.55
TP53 P04637 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL3705621 0.92 NAMPT (0.66) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3695166 0.87 RAB9A (0.60) NAMPTRAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL16054373 0.84 NAMPT (0.42) NAMPTRAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL16056028 0.83 NAMPT (0.42) NAMPTRAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL3695600 0.82 NAMPT (0.82) NAMPTRAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL16054932 0.81 NAMPT (0.42) NAMPTRAB9AMEN1KMT2ANPC1
SCHEMBL3703350 0.79 NAMPT (0.87) NAMPTRAB9ASMN1; SMN2MAPK1
SCHEMBL16054761 0.78 NAMPT (0.40) NAMPTMEN1KMT2A
SCHEMBL3696169 0.78 NAMPT (0.65) NAMPT
SCHEMBL3703007 0.77 RAB9A (0.64) NAMPTRAB9ASMN1; SMN2MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP disclosed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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-20120122924-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885RAB9A 2177/4885SMN1; SMN2 334/4885

“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.