SCHEMBL14908756

SCHEMBL14908756

COCCOc1ncc(C(=O)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.43
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
ABL1 P00519 2/20 0.39
HCAR2 Q8TDS4 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
TACR2 P21452 1/20 0.36
CNR1 P21554 1/20 0.36
MAPT P10636 1/20 0.36
RARG P13631 1/20 0.36
GCK P35557 1/20 0.36
EGFR P00533 1/20 0.36
CTSA P10619 1/20 0.36
VNN1 O95497 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL10076888 0.87 ABL1 (0.43) HCAR3HTTMAPK1LMNARAB9A
SCHEMBL23834707 0.87 CHEK2 (0.43) HTTMAPK1ABL1KDM4EHPGD
SCHEMBL14928310 0.86 KMT2A (0.45) HCAR3HTTMAPK1LMNARAB9A
SCHEMBL31069758 0.84 HCAR2 (0.40) HTTMAPK1LMNARAB9AABL1
SCHEMBL24214236 0.83 HCAR3 (0.44) HCAR3MAPK1ABL1HCAR2KDM4E
SCHEMBL3369108 0.83 MAPT (0.50) HCAR3HTTMAPK1LMNARAB9A
SCHEMBL1058736 0.82 MAPK1 (0.50) HTTMAPK1LMNARAB9AHCAR2
SCHEMBL443075 0.82 HCAR3 (0.43) HCAR3MAPK1ABL1HCAR2KDM4E
SCHEMBL24214200 0.81 L3MBTL1 (0.42) HTTMAPK1LMNARAB9AHCAR2
SCHEMBL411999 0.81 CTSA (0.50) HCAR3ABL1TACR2CNR1RARG

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 16 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
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 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
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 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
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HCAR3 100/4885HTT 2347/4885MAPK1 334/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 HCAR3 800/4885HTT 4399/4885MAPK1 129/4885

“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.