SCHEMBL3698682

SCHEMBL3698682

O=C(CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1Cc1ccncc1)NCCc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.46
ACHE P22303 4/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GOT1 P17174 1/20 0.42
HSD17B2 P37059 1/20 0.42
SNCA P37840 1/20 0.42
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL9099986 0.89 BCHE (0.50) BCHEACHEKMT2AMEN1ALDH1A1
SCHEMBL3700736 0.89 BCHE (0.45) BCHEACHEKMT2AMEN1NPC1
SCHEMBL9102458 0.87 MAPT (0.42) KMT2AMEN1ALDH1A1HDAC8
SCHEMBL9102425 0.87 MAPT (0.44) KMT2AMEN1ALDH1A1
SCHEMBL3698931 0.87 SNCA (0.42) BCHEACHEKMT2AMEN1NPC1
SCHEMBL3704087 0.86 TAAR1 (0.44) NPC1RAB9AALDH1A1HDAC8
SCHEMBL3698675 0.84 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HDAC8
SCHEMBL3698678 0.81 BCHE (0.46) BCHEACHEGOT1HSD17B2SNCA
SCHEMBL9103931 0.81 ITGB2 (0.44) KMT2AMEN1ALDH1A1HDAC8
SCHEMBL3693009 0.81 DRD3 (0.42) KMT2AMEN1NPC1RAB9ASIRT1

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 3 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
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

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 BCHE 4225/4885ACHE 3951/4885KMT2A 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.