SCHEMBL14908669

SCHEMBL14908669

O=[N+]([O-])c1ccc2c(c1)c(F)nn2CC(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.44
ACHE P22303 6/20 0.44
CNR1 P21554 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
GLS O94925 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
F2R P25116 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
RAD52 P43351 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL14923501 0.86 MAPT (0.45) CNR2ACHECNR1L3MBTL1MAPT
SCHEMBL28483269 0.86 CNR2 (0.42) CNR2ACHECNR1L3MBTL1MAPT
SCHEMBL30695536 0.86 CNR2 (0.42) CNR2ACHECNR1L3MBTL1MAPT
SCHEMBL14923632 0.84 CNR2 (0.50) CNR2ACHECNR1L3MBTL1MAPT
SCHEMBL14923625 0.84 MAPT (0.51) CNR2ACHECNR1L3MBTL1MAPT
SCHEMBL3377199 0.84 CNR2 (0.46) CNR2ACHECNR1L3MBTL1MAPT
SCHEMBL15081218 0.83 CNR2 (0.53) CNR2ACHECNR1L3MBTL1MAPT
SCHEMBL14923442 0.82 CNR2 (0.47) CNR2ACHECNR1L3MBTL1MAPT
SCHEMBL3350227 0.78 MAPT (0.39) CNR2ACHECNR1L3MBTL1MAPT
SCHEMBL28483102 0.78 CNR2 (0.39) CNR2ACHECNR1L3MBTL1MAPT

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
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

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 CNR2 305/4885ACHE 4592/4885CNR1 273/4885

“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.