SCHEMBL7923899

SCHEMBL7923899

COc1ccc2c(OC(C)C)cc(CN)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
FERMT2 Q96AC1 1/20 0.40
MPO P05164 1/20 0.39
ACHE P22303 1/20 0.39
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CYP3A4 P08684 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL11354583 0.82 NCF1 (0.46) ALDH1A1KDM4ESMN1; SMN2NOS3NOS1
SCHEMBL13409362 0.75 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2MPOACHE
SCHEMBL8349539 0.75 KDM4E (0.78) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL12762533 0.73 HTR1A (0.52) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL13409360 0.72 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL13757499 0.71 PDE10A (0.45) ALDH1A1KDM4ESMN1; SMN2HTR1AADRA1D
SCHEMBL15283397 0.71 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2ADRA1AMEN1
SCHEMBL13966270 0.70 MAPT (0.55) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL13757634 0.70 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2HTR1AADRA1D
SCHEMBL23283481 0.70 ACHE (0.46) ALDH1A1KDM4ESMN1; SMN2FERMT2MPO

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-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 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-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 ALDH1A1 628/4885KDM4E 1232/4885SMN1; SMN2 2794/4885

“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.