SCHEMBL3429563

SCHEMBL3429563

COc1ccc2c(C(C)(C)C)nc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
APLNR P35414 4/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL882975 0.87 ALDH1A1 (0.33) KDM4EALDH1A1TDP1APLNRCTSS
SCHEMBL1496441 0.85 ALDH1A1 (0.33) KDM4EALDH1A1TDP1APLNRCTSS
SCHEMBL3429859 0.84 MAPT (0.35) KDM4EALDH1A1TDP1APLNRCTSS
SCHEMBL3478864 0.84 ALDH1A1 (0.34) KDM4EALDH1A1TDP1APLNRCTSS
SCHEMBL1496428 0.84 APLNR (0.35) KDM4EALDH1A1TDP1APLNRCTSS
SCHEMBL15216093 0.84 ALDH1A1 (0.32) KDM4EALDH1A1TDP1APLNRCTSS
SCHEMBL8004421 0.84 ADORA2A (0.39) KDM4EALDH1A1TDP1APLNR
SCHEMBL3428569 0.80 CYP1A1 (0.31) KDM4EALDH1A1APLNRCTSS
SCHEMBL3429820 0.79 CTSS (0.37) KDM4EALDH1A1TDP1APLNRCTSS
SCHEMBL7944203 0.77 CTSS (0.40) KDM4EALDH1A1TDP1APLNRCTSS

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP KDM4E 695/4885ALDH1A1 1706/4885TDP1 4245/4885

“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.