SCHEMBL3695166

SCHEMBL3695166

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 1/20 0.60
NAMPT P43490 8/20 0.57
MAPK1 P28482 1/20 0.56
HPGD P15428 1/20 0.53
HCAR3 P49019 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 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
SCHEMBL3696169 0.91 NAMPT (0.65) NAMPTHCAR3
SCHEMBL3701751 0.87 NAMPT (0.56) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL16054275 0.82 NAMPT (0.45) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL3701393 0.81 NAMPT (0.87) NAMPT
SCHEMBL3707375 0.81 RAB9A (0.81) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL16088472 0.81 NAMPT (0.43) RAB9ASMN1; SMN2NAMPTMAPK1HCAR3
SCHEMBL3703350 0.80 NAMPT (0.87) RAB9ASMN1; SMN2NAMPTMAPK1
SCHEMBL16088398 0.79 NAMPT (0.44) RAB9ANPC1NAMPTHCAR3
SCHEMBL3705621 0.78 NAMPT (0.66) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3709094 0.77 NAMPT (0.65) RAB9ANPC1SMN1; SMN2NAMPT

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 RAB9A 2177/4885NPC1 88/4885SMN1; 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.