SCHEMBL14909476

SCHEMBL14909476

CN(C(=O)OC(C)(C)C)c1cccc(-c2cncc(Br)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.50
PAX8 Q06710 1/20 0.40
USP30 Q70CQ3 2/20 0.38
UCHL1 P09936 1/20 0.38
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CREBBP Q92793 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HSD17B2 P37059 4/20 0.35
HSD17B1 P14061 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL14923605 0.86 PAX8 (0.47) BRD4PAX8USP30UCHL1MAPK1
SCHEMBL30504285 0.83 BRD4 (0.62) BRD4PAX8RAB9ACREBBPHSD17B2
SCHEMBL29581626 0.81 RAB9A (0.39) BRD4PAX8USP30UCHL1MAPK1
SCHEMBL13188227 0.81 RAB9A (0.39) BRD4PAX8USP30UCHL1MAPK1
SCHEMBL67115 0.79 BRD4 (0.51) BRD4PAX8RAB9ASMN1; SMN2CREBBP
SCHEMBL30013638 0.79 BRD4 (0.51) BRD4PAX8RAB9ASMN1; SMN2CREBBP
SCHEMBL14910296 0.77 MAPK1 (0.40) MAPK1NPC1RAB9ASMN1; SMN2GABRA1
SCHEMBL14908606 0.76 GABRG2 (0.49) NPC1RAB9ASMN1; SMN2GABRA1GABRG2
SCHEMBL14923486 0.75 CYP17A1 (0.56) BRD4SMN1; SMN2CREBBPALDH1A1HTT
SCHEMBL27828345 0.74 MAPK1 (0.46) BRD4MAPK1

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 10 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-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
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 (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 BRD4 52/4885PAX8 4673/4885USP30 4753/4885

“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.