SCHEMBL3384205

SCHEMBL3384205

CCC(N)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.49
LTA4H P09960 1/20 0.48
DRD3 P35462 1/20 0.47
MAPK1 P28482 1/20 0.46
ELANE P08246 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CASP3 P42574 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 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
SCHEMBL14910316 1.00 KMT2A (0.49) KMT2AALDH1A1LTA4HDRD3MAPK1
SCHEMBL14909398 0.89 LTA4H (0.49) KMT2AALDH1A1LTA4HDRD3MAPK1
SCHEMBL14909397 0.89 LTA4H (0.49) KMT2AALDH1A1LTA4HDRD3MAPK1
Hydrochloric Acid SCHEMBL5966923 0.87 LTA4H (0.48) KMT2AALDH1A1LTA4HDRD3MAPK1
SCHEMBL14923569 0.86 KMT2A (0.50) KMT2AALDH1A1LTA4HMAPK1ELANE
SCHEMBL3378584 0.84 LTA4H (0.46) KMT2AALDH1A1LTA4HDRD3ELANE
SCHEMBL4597788 0.84 ELANE (0.57) KMT2AALDH1A1LTA4HELANECASP3
SCHEMBL1529982 0.84 ELANE (0.57) KMT2AALDH1A1LTA4HELANECASP3
SCHEMBL1529980 0.84 ELANE (0.57) KMT2AALDH1A1LTA4HELANECASP3
Hydrochloric Acid SCHEMBL18109315 0.83 LTA4H (0.45) KMT2AALDH1A1LTA4HDRD3ELANE

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
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-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
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 KMT2A 1162/4885ALDH1A1 1638/4885LTA4H 1806/4885

“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.