SCHEMBL12829904

SCHEMBL12829904

CC(=O)C(c1nsc2ccccc12)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.40
MAPT P10636 5/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
EPAS1 Q99814 1/20 0.34
POLB P06746 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
SCHEMBL12755493 0.85 MMP9 (0.41) MMP9MAPTKDM4EALDH1A1HSD17B10
SCHEMBL28249865 0.73 POLB (0.49) MMP9MAPTKDM4EALDH1A1HSD17B10
SCHEMBL27348939 0.73 MAPT (0.39) MMP9MAPTKDM4EALDH1A1HSD17B10
SCHEMBL8345923 0.72 MAPT (0.47) MMP9MAPTKDM4EALDH1A1HSD17B10
SCHEMBL27545804 0.72 MAPT (0.38) MMP9MAPTKDM4EALDH1A1HSD17B10
SCHEMBL4546569 0.71 KDM4E (0.50) MMP9MAPTKDM4EALDH1A1HSD17B10
SCHEMBL890208 0.71 ALOX5 (0.54) MAPTALDH1A1LMNA
SCHEMBL890241 0.70 HIF1A (0.42) MAPTKDM4ETP53SMN1; SMN2LMNA
SCHEMBL8119056 0.70 MMP9 (0.43) MMP9MAPTKDM4EALDH1A1HSD17B10
SCHEMBL7507198 0.70 PRNP (0.41) MAPTKDM4EALDH1A1OPRM1LMNA

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-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 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-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MMP9 3146/4885MAPT 4286/4885KDM4E 1139/4885

“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.