SCHEMBL3708322

SCHEMBL3708322

O=C(COCc1ccccc1)Nc1ccc(NC(=O)N2CCc3ccccc3C2)cc1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.85
RAB9A P51151 11/20 0.65
NPC1 O15118 9/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
TP53 P04637 1/20 0.65
ATM Q13315 1/20 0.63
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
TAS1R2 Q8TE23 1/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.58
MAPT P10636 1/20 0.57
ROCK2 O75116 1/20 0.53

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
SCHEMBL3707030 0.92 NAMPT (1.00) NAMPT
SCHEMBL6129011 0.86 NAMPT (0.64) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3707242 0.85 RAB9A (0.73) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3708236 0.83 NAMPT (0.85) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3693902 0.81 NAMPT (0.84) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL30515325 0.80 RAB9A (1.00) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL10226339 0.80 RAB9A (1.00) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL2349758 0.79 NAMPT (0.70) NAMPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3705329 0.79 RAB9A (0.75) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3704429 0.77 NAMPT (1.00) NAMPTTAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP claimed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
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 2177/4885NPC1 88/4885

“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.