SCHEMBL3343737

SCHEMBL3343737

CCCc1n[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
HPGD P15428 1/20 0.55
CNR2 P34972 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CDK2 P24941 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CNR1 P21554 1/20 0.46
NPBWR1 P48145 1/20 0.43
POLB P06746 2/20 0.43
MAOB P27338 1/20 0.43
NOS1 P29475 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRA1 P14867 1/20 0.42

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
SCHEMBL8671558 0.89 KCNH2 (0.53) MAPTHPGDCNR2KDM4ECDK2
SCHEMBL21768226 0.89 KDM4E (0.52) MAPTHPGDCNR2KDM4ENPBWR1
SCHEMBL3346790 0.88 MAPT (0.57) MAPTHPGDCNR2KDM4ECDK2
SCHEMBL25223963 0.86 MAPT (0.55) MAPTHPGDCNR2CDK2CA12
SCHEMBL27751025 0.86 MAPT (0.55) MAPTHPGDCNR2KDM4ECDK2
SCHEMBL11419219 0.82 MAPT (0.53) MAPTHPGDCNR2KDM4ECDK2
SCHEMBL6016621 0.81 MAPT (0.47) MAPTHPGDCNR2KDM4ECDK2
SCHEMBL11412098 0.81 CNR2 (0.48) MAPTHPGDCNR2KDM4ECDK2
SCHEMBL5381610 0.80 MAPT (0.66) MAPTHPGDCNR2KDM4ECDK2
SCHEMBL6016556 0.80 CDK2 (0.53) MAPTHPGDCNR2KDM4ECDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 4186/4885HPGD 1481/4885CNR2 305/4885

“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.