SCHEMBL3707428

SCHEMBL3707428

COc1ccc(CCNC(=O)CC2C(=O)N(CCc3cccs3)CC(=O)N2CCc2cccs2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
POLB P06746 4/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.45
CASP6 P55212 1/20 0.44

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
SCHEMBL3702254 0.96 POLB (0.53) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL3710490 0.96 ALDH1A1 (0.50) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL3700786 0.93 ALDH1A1 (0.49) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL3697576 0.92 ACHE (0.54) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL3705701 0.92 APAF1 (0.45) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL3704361 0.89 HPGD (0.56) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL16743093 0.87 SMN1; SMN2 (0.43) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL3703486 0.86 MEN1 (0.54) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL16743046 0.86 APAF1 (0.42) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL3696921 0.86 POLB (0.42) ALDH1A1POLBGAAMEN1KMT2A

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 7 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
EP-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP 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 ALDH1A1 701/4885POLB 1562/4885GAA 2164/4885

“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.