SCHEMBL3700786

SCHEMBL3700786

COc1ccc(CCNC(=O)CC2C(=O)N(Cc3ccccc3)CC(=O)N2CCc2cccs2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
POLB P06746 3/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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 0.94 POLB (0.53) ALDH1A1POLBNPC1TP53RAB9A
SCHEMBL3707428 0.93 ALDH1A1 (0.52) ALDH1A1POLBNPC1TP53RAB9A
SCHEMBL3710490 0.91 ALDH1A1 (0.50) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL3706430 0.90 MEN1 (0.53) ALDH1A1POLBTP53GAAMEN1
SCHEMBL3700195 0.89 MAPT (0.47) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL3697576 0.87 ACHE (0.54) ALDH1A1POLBNPC1TP53RAB9A
SCHEMBL3694967 0.87 MAPT (0.52) ALDH1A1NPC1TP53RAB9AGAA
SCHEMBL3702511 0.87 MAPT (0.44) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL3691818 0.87 KMT2A (0.46) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL3705701 0.87 APAF1 (0.45) ALDH1A1POLBNPC1TP53RAB9A

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 1562/4885NPC1 1890/4885

“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.