SCHEMBL14908910

SCHEMBL14908910

O=C1CCCN1CCCOc1ccc2cc(Br)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
KMT2A Q03164 6/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FGFR1 P11362 3/20 0.39
FGFR2 P21802 3/20 0.39
FGFR4 P22455 3/20 0.39
FGFR3 P22607 3/20 0.39
KDR P35968 3/20 0.39
MAPT P10636 1/20 0.39
PGK1 P00558 1/20 0.39
PDK2 Q15119 1/20 0.38
SCN7A Q01118 1/20 0.38
CASK O14936 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL16620884 0.81 SCN7A (0.52) KMT2AMEN1MAPTSCN7AKDM4E
SCHEMBL14910119 0.81 KMT2A (0.49) SCN9AKMT2APOLBMEN1FGFR1
SCHEMBL16621242 0.80 SCN7A (0.54) KMT2AMEN1MAPTSCN7AKDM4E
SCHEMBL16621316 0.77 MEN1 (0.58) KMT2APOLBMEN1MAPTSCN7A
SCHEMBL16621374 0.77 SCN7A (0.58) KMT2APOLBMEN1MAPTSCN7A
SCHEMBL16621435 0.76 SCN7A (0.60) KMT2APOLBMEN1SMN1; SMN2MAPT
SCHEMBL4094159 0.76 POLB (0.57) KMT2APOLBTDP1MEN1SMN1; SMN2
SCHEMBL16620777 0.75 KDM4E (0.51) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL14923433 0.75 SCN9A (0.42) SCN9AKMT2AMEN1HTTFGFR1
SCHEMBL5494583 0.75 MKNK1 (0.51) KMT2APOLBTDP1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK SCN9A 885/4885KMT2A 1162/4885POLB 4026/4885

“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.