SCHEMBL3700914

SCHEMBL3700914

CCOC(=O)CN(CCc1ccc(OC)c(OC)c1)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 4/20 0.36
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
APAF1 O14727 3/20 0.35
CASP3 P42574 3/20 0.35
CASP9 P55211 3/20 0.35
CYCS P99999 3/20 0.35
FPR1 P21462 1/20 0.35
AVPR1A P37288 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 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
SCHEMBL3705051 0.93 APAF1 (0.36) TSHRALDH1A1LMNATP53USP2
SCHEMBL9101546 0.92 C5AR1 (0.39) ALDH1A1MAPK1APAF1CASP3CASP9
SCHEMBL3697424 0.91 APAF1 (0.34) TSHRALDH1A1LMNATP53USP2
SCHEMBL3695657 0.89 GLA (0.40) ALDH1A1GLALMNATP53APAF1
SCHEMBL3701950 0.88 KCNJ1 (0.36) TSHRALDH1A1KMT2ALMNATP53
SCHEMBL3696385 0.88 PTGS2 (0.37) ALDH1A1APAF1CASP3CASP9CYCS
SCHEMBL3705169 0.86 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL3705971 0.86 GLA (0.39) TSHRALDH1A1GLAMEN1KMT2A
SCHEMBL3708097 0.85 TSHR (0.34) TSHRALDH1A1TP53USP2NPSR1
SCHEMBL3697589 0.85 BCHE (0.37)

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 TSHR 4570/4885ALDH1A1 701/4885GLA 3065/4885

“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.