SCHEMBL3362004

SCHEMBL3362004

COCCn1ccc2cc(Cl)cc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
HTR2A P28223 6/20 0.34
HTR2C P28335 6/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2B P41595 1/20 0.34
MCL1 Q07820 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
TGFBR1 P36897 2/20 0.33
TGFBR2 P37173 2/20 0.33
GLO1 Q04760 2/20 0.33
SLC6A4 P31645 1/20 0.32
ACLY P53396 1/20 0.32
P2RX7 Q99572 1/20 0.32
GRM2 Q14416 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL6870091 0.83 GRIN2B (0.39) GRIN2BHTR2AHTR2CMCL1GLO1
SCHEMBL12543668 0.76 TP53 (0.39) GRIN2BHTR2AHTR2CGLO1SLC6A4
SCHEMBL5333977 0.75 HTR2C (0.55) GRIN2BHTR2AHTR2CMCL1GLO1
SCHEMBL6870794 0.75 GRIN2B (0.42) GRIN2BHTR2AHTR2CCYP1A2CYP3A4
SCHEMBL6870767 0.75 GRIN2B (0.42) GRIN2BHTR2AHTR2CMCL1GLO1
SCHEMBL6872057 0.72 GRIN2B (0.42) GRIN2BHTR2AHTR2CP2RX7MEN1
SCHEMBL31637373 0.70 GLO1 (0.41) GRIN2BHTR2AHTR2CCYP1A2CYP3A4
SCHEMBL19187614 0.69 HTR2A (0.38) HTR2AHTR2CCYP1A2CYP3A4CYP2C9
SCHEMBL6871093 0.69 GRIN2B (0.45) GRIN2BHTR2AHTR2CP2RX7MEN1
SCHEMBL6871183 0.69 GRIN2B (0.45) GRIN2BHTR2AHTR2CP2RX7MEN1

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
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-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
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN 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 GRIN2B 1446/4885HTR2A 3058/4885HTR2C 3067/4885

“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.