SCHEMBL3376823

SCHEMBL3376823

O=[N+]([O-])c1cnc2oc3ccccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 2/20 0.56
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 4/20 0.46
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
KDM4E B2RXH2 2/20 0.43
EGFR P00533 6/20 0.42
IGF1R P08069 6/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.40
HNF4A P41235 1/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 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
SCHEMBL22249685 0.87 MEN1 (0.48) MEN1KMT2AMAPTIDO1ALDH1A1
SCHEMBL22249800 0.81 EGFR (0.49) MEN1KMT2AIDO1ALDH1A1EGFR
SCHEMBL22249803 0.81 NPC1 (0.41) MEN1KMT2AMAPTIDO1ALDH1A1
SCHEMBL15532752 0.78 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1TNKS
SCHEMBL2340821 0.76 MAPT (0.81) MEN1KMT2AMAPTALDH1A1TNKS
Dibenzofuran SCHEMBL27495466 0.75 MEN1 (0.79) MEN1KMT2AMAPTALDH1A1TNKS
SCHEMBL483262 0.72 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1TNKS
SCHEMBL22138635 0.72 KDM4E (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3375737 0.72 KDM4E (0.55) MEN1KMT2AMAPTALDH1A1PARP1
SCHEMBL16283923 0.72 ALDH1A1 (0.45) MEN1KMT2AMAPTALDH1A1TNKS

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 MEN1 2870/4885KMT2A 1162/4885MAPT 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.