SCHEMBL3375737

SCHEMBL3375737

Nc1cnc2oc3ccccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 7/20 0.55
MAPT P10636 5/20 0.55
HPGD P15428 5/20 0.55
NPC1 O15118 5/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 3/20 0.55
NQO1 P15559 1/20 0.42
MAPK1 P28482 2/20 0.41
LIMK1 P53667 1/20 0.40
HSD17B10 Q99714 3/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
PGAM1 P18669 1/20 0.39
MAOA P21397 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
GFER P55789 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
SCHEMBL22249798 0.85 KMT2A (0.42) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL16974054 0.79 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL16283923 0.79 ALDH1A1 (0.45) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL15631660 0.79 AHR (0.50) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL22138635 0.79 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL15695147 0.77 GSK3B (0.51) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL25662820 0.76 NPC1 (0.32) MAPTNPC1SMN1; SMN2RAB9AGFER
SCHEMBL15631606 0.75 MAPT (0.46) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL16282374 0.75 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL15631608 0.72 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDNPC1

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 14 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
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO 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 KDM4E 2420/4885ALDH1A1 1638/4885MAPT 4186/4885

“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.