SCHEMBL3378265

SCHEMBL3378265

CCOc1ncc([N+](=O)[O-])cc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
POLB P06746 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL14928319 0.87 MAPT (0.43) MAPTPOLBGLAKMT2AMEN1
SCHEMBL2845345 0.84 GLA (0.53) MAPTPOLBGLAKMT2AALDH1A1
SCHEMBL1559460 0.83 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL14910676 0.83 ALDH1A1 (0.42) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL3355225 0.82 KMT2A (0.41) MAPTPOLBGLAKMT2AMEN1
SCHEMBL14923663 0.82 MAPT (0.47) MAPTPOLBGLAKMT2AMEN1
SCHEMBL3377453 0.82 KMT2A (0.44) MAPTPOLBGLAKMT2AMEN1
SCHEMBL15534466 0.81 KMT2A (0.53) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL14831812 0.81 HTT (0.45) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL22009637 0.80 HTT (0.42) KMT2AMEN1ALDH1A1TDP1GAA

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 MAPT 4186/4885POLB 4026/4885GLA 2641/4885

“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.