SCHEMBL3705329

SCHEMBL3705329

O=C(O)Cc1ccc(NC(=O)N2CCc3ccccc3C2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.75
NPC1 O15118 11/20 0.75
SMN1; SMN2 Q16637 4/20 0.75
TP53 P04637 1/20 0.75
ATM Q13315 1/20 0.75
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
ALDH1A1 P00352 1/20 0.68
TAS1R3 Q7RTX0 1/20 0.68
TAS1R1 Q7RTX1 1/20 0.68
TAS1R2 Q8TE23 1/20 0.68
GAA P10253 1/20 0.68
MAPK1 P28482 1/20 0.65
MAPT P10636 1/20 0.64
NAMPT P43490 4/20 0.63
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
ROCK2 O75116 1/20 0.57

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
SCHEMBL3707242 0.89 RAB9A (0.73) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL10226339 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL30515325 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL3701861 0.84 NPC1 (0.64) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL3703508 0.84 RAB9A (0.73) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL3699344 0.83 RAB9A (0.73) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL13742120 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL13741994 0.83 KMT2A (0.56) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL3707375 0.83 RAB9A (0.81) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL3705088 0.82 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103347860-A Nampt inhibitor ABBOTT LAB 2013-10-09 CN disclosed
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.