SCHEMBL13624110

SCHEMBL13624110

CCC(CC)NC(=O)Nc1c(C)cccc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.56
PKM P14618 3/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 4/20 0.49
KMT2A Q03164 4/20 0.49
SCN3A Q9NY46 3/20 0.49
MEN1 O00255 3/20 0.49
ALOX15 P16050 2/20 0.49
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MC4R P32245 1/20 0.49

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
SCHEMBL24567775 0.80 ANPEP (0.60) ANPEPPKMPOLBMAPTLMNA
SCHEMBL30051979 0.79 MAPT (0.67) ANPEPPKMPOLBMAPK1MAPT
SCHEMBL13480572 0.77 POLB (0.54) ANPEPPKMPOLBMAPK1MAPT
SCHEMBL1934232 0.76 ANPEP (0.46) ANPEPPOLBMAPK1MAPTLMNA
SCHEMBL11058776 0.75 POLB (0.50) ANPEPPKMPOLBMAPK1MAPT
SCHEMBL28739212 0.75 TSHR (0.53) MAPK1MAPTLMNAKMT2ASCN3A
SCHEMBL6375568 0.75 PKM (0.66) PKMPOLBMAPK1LMNAKMT2A
SCHEMBL14275079 0.74 ATM (0.54) ANPEPMAPK1MAPTLMNAKMT2A
SCHEMBL23453327 0.74 PKM (0.69) PKMPOLBMAPK1MAPTKMT2A
SCHEMBL21056124 0.74 POLB (0.59) ANPEPPKMPOLBMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286876-A1 NEUROPROTECTIVE BENZOATE AND BENZAMIDE COMPOUNDS SAMARITAN PHARMACEUTICALS, INC. 2009-11-19 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-20090286876-A1 NEUROPROTECTIVE BENZOATE AND BENZAMIDE COMPOUNDS ABAT, GABRB2, GABRB1 ANPEP 166/4885PKM 1727/4885POLB 1995/4885

“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.