SCHEMBL3708029

SCHEMBL3708029

CCOC(=O)CN(CCCN1CCCC1=O)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APAF1 O14727 3/20 0.34
CASP3 P42574 3/20 0.34
CASP9 P55211 3/20 0.34
CYCS P99999 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
TP53 P04637 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL3697463 0.89 OPRM1 (0.43) MAPTMEN1KMT2AL3MBTL1OPRM1
SCHEMBL3703436 0.89 APAF1 (0.40) MAPTMEN1KMT2AAPAF1CASP3
SCHEMBL3698185 0.88 MAPT (0.36) MAPTMEN1KMT2AAPAF1CASP3
SCHEMBL3700838 0.87 APAF1 (0.36) MAPTMEN1KMT2AAPAF1CASP3
SCHEMBL3702465 0.87 PSEN1 (0.35) MAPTMEN1KMT2AAPAF1CASP3
SCHEMBL3705971 0.84 GLA (0.39) MAPTMEN1KMT2AAPAF1CASP3
SCHEMBL3702485 0.84 CA12 (0.37) MAPTAPAF1CASP3CASP9CYCS
SCHEMBL3708028 0.83 APAF1 (0.51) MAPTMEN1KMT2AAPAF1CASP3
SCHEMBL9101503 0.82 MAPK1 (0.46) MAPTKMT2ATP53ALDH1A1HSD17B10
SCHEMBL3693162 0.82 MAPT (0.37) MAPTAPAF1CASP3CASP9CYCS

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-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS APAF1, API5, AIFM1 MAPT 4448/4885MEN1 3731/4885KMT2A 4192/4885

“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.