SCHEMBL16728899

SCHEMBL16728899

CCc1cc(C)[nH]c(=O)c1CNCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
EZH2 Q15910 7/20 0.40
EED O75530 2/20 0.37
RBBP4 Q09028 2/20 0.37
SUZ12 Q15022 2/20 0.37
AEBP2 Q6ZN18 2/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
EZH1 Q92800 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL16744313 0.89 EED (0.47) KDM4EPKMALDH1A1HSD17B10HPGD
SCHEMBL17885416 0.82 EZH2 (0.48) KDM4EPKMEZH2EEDRBBP4
SCHEMBL15174113 0.80 EED (0.46) KDM4EPKMEZH2EEDRBBP4
SCHEMBL17880825 0.78 EZH2 (0.45) KDM4EPKMALDH1A1HSD17B10HPGD
SCHEMBL16377039 0.77 EZH2 (0.45) KDM4EPKMALDH1A1HSD17B10HPGD
SCHEMBL2594097 0.77 KDM4E (0.46) KDM4EPKMALDH1A1HSD17B10HPGD
SCHEMBL18455533 0.76 HPGD (0.53) KDM4EPKMALDH1A1HSD17B10HPGD
SCHEMBL14917611 0.75 GRIN2D (0.46) KDM4EPKMALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL2591197 0.75 KDM4E (0.45) KDM4EPKMALDH1A1HSD17B10HPGD
SCHEMBL21156095 0.75 EZH2 (0.41) KDM4EPKMALDH1A1HSD17B10HPGD

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-20150141436-A1 INDOLES KIDS2, INC. 2015-05-21 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-20150141436-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885PKM 3097/4885ALDH1A1 38/4885

“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.