SCHEMBL3369108

SCHEMBL3369108

CCOc1ncc(C(=O)O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HCAR2 Q8TDS4 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
HCAR3 P49019 1/20 0.38
PLA2G4B P0C869 1/20 0.38
VNN1 O95497 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL14928310 0.87 KMT2A (0.45) MAPTCYP2C9CYP2C19HCAR2LMNA
SCHEMBL30445706 0.85 TSHR (0.46) MAPTTSHRLMNAMAPK1HTT
SCHEMBL14908976 0.84 MAPK1 (0.42) MAPTCYP2C9CYP2C19LMNAMAPK1
SCHEMBL1058736 0.83 MAPK1 (0.50) MAPTHCAR2LMNAMAPK1HTT
SCHEMBL14908756 0.83 HCAR3 (0.43) MAPTCYP2C9CYP2C19HCAR2LMNA
SCHEMBL31069758 0.82 HCAR2 (0.40) MAPTHCAR2LMNAMAPK1HTT
SCHEMBL27371818 0.81 TSHR (0.53) MAPTCYP2C9CYP2C19TSHRLMNA
SCHEMBL6233391 0.81 MAPT (0.51) MAPTCYP2C9CYP2C19TSHRLMNA
SCHEMBL2716074 0.81 L3MBTL1 (0.55) CYP2C9CYP2C19HCAR2MAPK1VNN1
SCHEMBL15670035 0.81 HCAR2 (0.39) MAPTCYP2C9CYP2C19HCAR2LMNA

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 MAPT 4186/4885CYP2C9 4459/4885CYP2C19 3799/4885

“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.