SCHEMBL3702076

SCHEMBL3702076

CCOC(=O)CN(CCc1ccc(OC)c(OC)c1)C(=O)CC1C(=O)N(CCOC)CC(=O)N1CCc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 9/20 0.39
APAF1 O14727 3/20 0.38
CASP3 P42574 3/20 0.38
CASP9 P55211 3/20 0.38
CYCS P99999 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
FPR1 P21462 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RECQL P46063 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
SCHEMBL3696792 0.96 KMT2A (0.42) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL3694064 0.93 APAF1 (0.42) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL3700029 0.93 ALDH1A1 (0.42) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL3699350 0.92 APAF1 (0.44) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL3697619 0.91 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL3692612 0.90 ACHE (0.49) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL3706883 0.89 APAF1 (0.43) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL3705970 0.89 APAF1 (0.54) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL3694614 0.89 TRPM8 (0.40) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL3700442 0.88 APAF1 (0.40) KMT2AMEN1MAPTALDH1A1APAF1

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 6 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-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
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
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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 KMT2A 4192/4885MEN1 3731/4885LMNA 521/4885

“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.