SCHEMBL4329258

SCHEMBL4329258

Cc1cc(C(N)=O)c(C)nc1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CDC7 O00311 1/20 0.39
PSMB5 P28074 1/20 0.38
PDE4D Q08499 1/20 0.37
PDE7A Q13946 1/20 0.37
NNMT P40261 1/20 0.36
CD38 P28907 1/20 0.36
S1PR1 P21453 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
PTGS2 P35354 2/20 0.36
SLC9A1 P19634 1/20 0.35
MAPK1 P28482 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL28976931 0.83 SCN10A (0.40) KDM4ENNMTSCN10AMAPK1
SCHEMBL3094972 0.78 KDM4E (0.40) MAPTKDM4EKMT2AMEN1CDC7
SCHEMBL3602173 0.77 F2 (0.36) MAPTKDM4EKMT2AMEN1CDC7
SCHEMBL4153908 0.74 NNMT (0.47) MAPTKDM4EKMT2AMEN1CDC7
SCHEMBL29580982 0.74 PARP1 (0.43) MAPTKDM4EKMT2AMEN1CDC7
SCHEMBL19121329 0.71 TRPV1 (0.39) MAPTKDM4EKMT2AMEN1CDC7
SCHEMBL28976382 0.71 SCN10A (0.39) KDM4ENNMTSCN10AMAPK1
SCHEMBL28628579 0.70 SMN1; SMN2 (0.62) KDM4ENNMT
SCHEMBL30621073 0.70 KMT2A (0.42) MAPTKDM4EKMT2AMEN1CDC7
SCHEMBL31171355 0.70 KDM4E (0.42) MAPTKDM4EKMT2AMEN1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084470-B2 Substituted nicotinamide compounds and uses thereof GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20090076086-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF GRUENENTHAL GMBH (DE) 2009-03-19 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-20090076086-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF NNT, NAMPT, NADK MAPT 354/4885KDM4E 2156/4885KMT2A 1677/4885

“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.