SCHEMBL3379010

SCHEMBL3379010

C[C@@H](N)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.46
CASP3 P42574 3/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
GLS O94925 1/20 0.46
DRD3 P35462 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 2/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6540452 1.00 ELANE (0.51) ELANEALDH1A1KMT2ACASP3CA12
SCHEMBL1530702 1.00 ELANE (0.51) ELANEALDH1A1KMT2ACASP3CA12
Hydrochloric Acid SCHEMBL14910581 0.98 ELANE (0.54) ELANEALDH1A1KMT2ACASP3CA12
Hydrochloric Acid SCHEMBL14910582 0.98 ELANE (0.54) ELANEALDH1A1KMT2ACASP3CA12
SCHEMBL14908843 0.85 ELANE (0.49) ELANEALDH1A1KMT2ACASP3CA12
SCHEMBL14923460 0.85 ELANE (0.49) ELANEALDH1A1KMT2ACASP3CA12
SCHEMBL14908842 0.85 ELANE (0.49) ELANEALDH1A1KMT2ACASP3CA12
SCHEMBL4482770 0.83 ALDH1A1 (0.53) ELANEALDH1A1KMT2ACASP3CA12
SCHEMBL9340887 0.83 ALDH1A1 (0.53) ELANEALDH1A1KMT2ACASP3CA12
SCHEMBL30377710 0.83 ALDH1A1 (0.53) ELANEALDH1A1KMT2ACASP3CA12

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
WO-2016072854-A2 PANTOTHENAMIDE ANALOGUES RADBOUD UNIVERSITAIR MEDISCH CENTRUM (NL) 2016-05-12 WO 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 ELANE 1661/4885ALDH1A1 1638/4885KMT2A 1162/4885

“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.