SCHEMBL14923632

SCHEMBL14923632

O=[N+]([O-])c1ccc2c(c1)c(F)nn2CCF

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.50
CNR1 P21554 8/20 0.50
ACHE P22303 6/20 0.50
MAPT P10636 5/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
GLS O94925 1/20 0.43
F2R P25116 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
BCHE P06276 2/20 0.41

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
SCHEMBL14923643 0.89 CNR2 (0.42) CNR2CNR1ACHEMAPTPOLB
SCHEMBL14923625 0.86 MAPT (0.51) CNR2CNR1ACHEMAPTPOLB
SCHEMBL14923447 0.84 CNR2 (0.52) CNR2CNR1ACHEMAPTPOLB
SCHEMBL14908669 0.84 CNR2 (0.44) CNR2CNR1ACHEMAPTPOLB
SCHEMBL14923487 0.82 CNR2 (0.53) CNR2CNR1ACHEMAPTPOLB
SCHEMBL14908618 0.81 L3MBTL1 (0.62) CNR2CNR1ACHEMAPTPOLB
SCHEMBL3376821 0.80 CNR2 (0.54) CNR2CNR1ACHEMAPTPOLB
SCHEMBL3380035 0.76 KMO (0.44) CNR2CNR1ACHEMAPTPOLB
SCHEMBL14909721 0.74 CYP1A2 (0.48) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL14928249 0.74 GLS (0.75) CNR2CNR1ACHEMAPTPOLB

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 7 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

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 305/4885CNR1 273/4885ACHE 4592/4885

“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.