SCHEMBL3696172

SCHEMBL3696172

O=C(Nc1ccc(NC(=O)N2CCc3ccccc3C2)cc1)c1ccn[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.65
NPC1 O15118 12/20 0.65
SMN1; SMN2 Q16637 5/20 0.63
TP53 P04637 1/20 0.63
NAMPT P43490 3/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
ALDH1A1 P00352 1/20 0.61
TAS1R3 Q7RTX0 1/20 0.61
TAS1R1 Q7RTX1 1/20 0.61
TAS1R2 Q8TE23 1/20 0.61
GAA P10253 1/20 0.61
ROCK2 O75116 1/20 0.60
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.56
CDK2 P24941 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CASP3 P42574 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
SCHEMBL3698767 0.82 RAB9A (0.79) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL3709022 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL3707350 0.80 ROCK2 (0.76) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL3708277 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL17559776 0.79 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL30515325 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL10226339 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL3706127 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL4526775 0.77 RAB9A (0.71) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL3697346 0.77 NAMPT (1.00) NAMPT

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 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.