SCHEMBL10097816

SCHEMBL10097816

CCCn1c(-c2ccc(NC(=O)NC(C)C)cc2)c(N)c2ccc(OCC)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 11/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
ACACB O00763 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TTK P33981 1/20 0.37
MAPK8 P45983 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
SCHEMBL13152397 0.95 ALDH1A1 (0.43) ALDH1A1MAPTTP53HSD17B10KDM4E
SCHEMBL13151937 0.92 PKM (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL12950382 0.89 MAPT (0.42) ALDH1A1MAPTL3MBTL1TP53HSD17B10
SCHEMBL10097620 0.88 ALDH1A1 (0.43) ALDH1A1MAPTTP53POLBTDP1
SCHEMBL12108935 0.88 MAPT (0.45) ALDH1A1MAPTTP53HSD17B10KDM4E
SCHEMBL13152477 0.88 NPC1 (0.42) ALDH1A1MAPTL3MBTL1TP53HSD17B10
SCHEMBL13152378 0.88 MEN1 (0.43) ALDH1A1MAPTTP53POLBTDP1
SCHEMBL10097724 0.87 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1TP53HSD17B10
SCHEMBL13152684 0.87 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1TP53HSD17B10
SCHEMBL14466151 0.86 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885MAPT 4044/4885L3MBTL1 3270/4885

“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.