SCHEMBL3385949

SCHEMBL3385949

O=[N+]([O-])c1cnc(Cl)c(-n2nccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
F2 P00734 2/20 0.38
PLAU P00749 2/20 0.38
ELANE P08246 2/20 0.38
KLKB1 P03952 1/20 0.38
AHR P35869 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 3/20 0.35
IDO1 P14902 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KAT2B Q92831 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
SCHEMBL14908701 0.81 ALDH1A1 (0.40) ALDH1A1MAPK1HTTF2PLAU
SCHEMBL3348589 0.79 ALDH1A1 (0.44) ALDH1A1HTTF2PLAUELANE
SCHEMBL17292961 0.79 ALDH1A1 (0.44) ALDH1A1MAPK1HTTAHRMAPT
SCHEMBL10076383 0.76 NOTUM (0.44) ALDH1A1MAPK1HTTAHRMAPT
SCHEMBL15081249 0.74 HCRTR1 (0.36) ALDH1A1MAPK1HTTHCRTR1HCRTR2
SCHEMBL364459 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1HTTAHRMAPT
SCHEMBL29438693 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1HTTAHRMAPT
SCHEMBL16168982 0.73 MAPT (0.39) ALDH1A1MAPK1HTTHCRTR1HCRTR2
SCHEMBL14910449 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1HTTMAPTLMNA
SCHEMBL20265713 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1HTTMAPTIDO1

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 23 patents — showing the first 20. 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
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 WO 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
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN 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 (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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK ALDH1A1 1638/4885MAPK1 334/4885HTT 2347/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 ALDH1A1 982/4885MAPK1 129/4885HTT 4399/4885

“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.