SCHEMBL16496372

SCHEMBL16496372

O=C(NCCOCc1ccccc1)c1cnc(-c2cccc(F)c2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.43
CXCR3 P49682 2/20 0.43
CTSA P10619 1/20 0.42
LMNA P02545 2/20 0.41
ASAH1 Q13510 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HIF1A Q16665 1/20 0.40
PPARD Q03181 1/20 0.40
GABRA5 P31644 1/20 0.40
HTT P42858 1/20 0.39
PTAFR P25105 1/20 0.39

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
SCHEMBL16495723 0.81 MAPT (0.45) CXCR3CTSASMN1; SMN2GABRA5PTAFR
SCHEMBL1543442 0.75 HPGDS (0.48)
SCHEMBL16495565 0.74 PSMD14 (0.55)
SCHEMBL16496396 0.74 HCRTR1 (0.58) LMNASMN1; SMN2
SCHEMBL16495381 0.74 DRD2 (0.52) LMNASMN1; SMN2NPC1RAB9AHTT
SCHEMBL16496253 0.74 CTSA (0.44) CTSAGABRA5
SCHEMBL16496071 0.73 LMNA (0.50) LMNASMN1; SMN2
SCHEMBL16496244 0.73 MAPT (0.57) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL1578594 0.73 GAA (0.53) LMNASMN1; SMN2NPC1RAB9AHTT
SCHEMBL16495642 0.72 GAA (0.48) NPC1RAB9AGABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 NOD1 61/4885CXCR3 793/4885CTSA 1235/4885

“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.