SCHEMBL10168947

SCHEMBL10168947

CC(=O)c1cccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.55
HRH3 Q9Y5N1 7/20 0.51
USP30 Q70CQ3 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 2/20 0.46
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL10168946 0.88 HRH3 (0.52) HRH3USP30NPC1RAB9A
SCHEMBL10168938 0.88 USP30 (0.52) HRH3USP30NPC1RAB9APKM
SCHEMBL13051465 0.87 L3MBTL1 (0.64) NPC1RAB9AL3MBTL1
SCHEMBL10212614 0.87 GRM5 (0.62) HRH3USP30L3MBTL1
SCHEMBL10210766 0.86 HRH3 (0.58) HRH3USP30
SCHEMBL10168929 0.86 USP30 (0.66) HRH3USP30NPC1RAB9APKM
SCHEMBL10169095 0.85 NPC1 (0.67) HRH3USP30NPC1RAB9AKDM4E
SCHEMBL10168991 0.85 HRH3 (0.53) HRH3USP30NPC1RAB9APKM
SCHEMBL10168965 0.84 HTT (0.54) HRH3USP30ALOX15HSD17B10
SCHEMBL10169077 0.84 HRH3 (0.48) HRH3USP30NPC1RAB9AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT SMYD3 4250/4885HRH3 1169/4885USP30 4807/4885

“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.