SCHEMBL10168946

SCHEMBL10168946

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.52
USP30 Q70CQ3 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MCHR1 Q99705 1/20 0.45
SLC6A5 Q9Y345 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
SCHEMBL10168947 0.88 SMYD3 (0.55) HRH3USP30NPC1RAB9A
SCHEMBL10168938 0.86 USP30 (0.52) HRH3USP30NPC1RAB9A
SCHEMBL10168991 0.85 HRH3 (0.53) HRH3USP30NPC1RAB9AALDH1A1
SCHEMBL13051465 0.85 L3MBTL1 (0.64) NPC1RAB9AMCHR1
SCHEMBL10212614 0.85 GRM5 (0.62) HRH3USP30
SCHEMBL10210733 0.85 ALDH1A1 (0.51) USP30NPC1RAB9AALDH1A1TSHR
SCHEMBL10210766 0.84 HRH3 (0.58) HRH3USP30SLC6A5
SCHEMBL10168929 0.84 USP30 (0.66) HRH3USP30NPC1RAB9A
SCHEMBL10169066 0.84 PKM (0.67) HRH3USP30NPC1RAB9AALDH1A1
SCHEMBL10169095 0.83 NPC1 (0.67) HRH3USP30NPC1RAB9AALDH1A1

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 HRH3 1169/4885USP30 4807/4885NPC1 1778/4885

“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.