SCHEMBL14909674

SCHEMBL14909674

COCCOc1ncc([N+](=O)[O-])cc1-n1ccnn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
PKM P14618 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
CNR2 P34972 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NOTUM Q6P988 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
HTT P42858 1/20 0.31
KAT2B Q92831 1/20 0.31

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
SCHEMBL14928321 0.89 CYP19A1 (0.38) LMNAPKMALDH1A1CNR1ACHE
SCHEMBL15081346 0.87 MAPT (0.35) LMNAPKMALDH1A1CYP19A1MEN1
SCHEMBL14909672 0.84 ALDH1A1 (0.40) LMNAPKMALDH1A1CNR2MEN1
SCHEMBL15081387 0.81 CNR2 (0.34) LMNAALDH1A1CNR1ACHECNR2
SCHEMBL14910090 0.79 CYP19A1 (0.35) ALDH1A1CYP19A1NOTUMEGLN2
SCHEMBL15081210 0.79 NOTUM (0.35) LMNAALDH1A1MEN1KMT2ANOTUM
SCHEMBL14909313 0.75 NOTUM (0.37) LMNAPKMALDH1A1NOTUMEGLN2
SCHEMBL10076383 0.75 NOTUM (0.44) LMNAALDH1A1CYP2C19NOTUMHTT
SCHEMBL3356597 0.74 ALDH1A1 (0.47) LMNAALDH1A1CYP2C19MEN1KMT2A
SCHEMBL14910676 0.74 ALDH1A1 (0.42) LMNAALDH1A1CNR1ACHECNR2

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 12 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
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN 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-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
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

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 LMNA 3649/4885PKM 3583/4885ALDH1A1 1638/4885

“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.