SCHEMBL4182425

SCHEMBL4182425

NC(=O)c1cccnc1CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.46
SYK P43405 1/20 0.45
RPS6KB1 P23443 2/20 0.45
SIRT2 Q8IXJ6 2/20 0.44
FAAH O00519 1/20 0.44
KMT2A Q03164 3/20 0.44
PARP1 P09874 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
ADRA1D P25100 1/20 0.43
MEN1 O00255 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42

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
SCHEMBL2129712 0.91 KDM4E (0.57) SMN1; SMN2NPC1RAB9AKDM4ESYK
SCHEMBL2130083 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL30666151 0.87 PARP1 (0.51) SMN1; SMN2NPC1RAB9AKDM4ESYK
SCHEMBL1722473 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL9339087 0.83 PARP1 (0.47) SMN1; SMN2NPC1RAB9AKDM4ESYK
SCHEMBL2306128 0.83 SYK (0.48) SMN1; SMN2NPC1RAB9AKDM4ESYK
SCHEMBL4601500 0.81 KDM4E (0.54) SMN1; SMN2NPC1RAB9AKDM4ESYK
SCHEMBL2128697 0.80 KDM4E (0.52) SMN1; SMN2NPC1RAB9AKDM4ESYK
SCHEMBL2129251 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKDM4ELMNA
Hydrochloric Acid SCHEMBL11508163 0.80 SYK (0.46) SMN1; SMN2NPC1RAB9AKDM4ESYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250297321-A1 METHOD FOR DETECTING METABOLIC REPROGRAMING OF CANCER TOWARDS FATTY ACIDS METABOLISM INST NAT SANTE RECH MED (FR) 2025-09-25 US disclosed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US disclosed
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP disclosed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 WO disclosed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 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 (2 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-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents NAMPT, NNT, NNMT SMN1; SMN2 112/4885NPC1 94/4885RAB9A 1717/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SMN1; SMN2 112/4885NPC1 94/4885RAB9A 1717/4885

“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.