SCHEMBL3700736

SCHEMBL3700736

C#CCN1C(=O)CN(C(Cl)Cc2ccc(Cl)cc2)C(=O)C1CC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
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 2/20 0.43
GOT1 P17174 1/20 0.42
HSD17B2 P37059 1/20 0.42
AANAT Q16613 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3698682 0.89 BCHE (0.46) BCHEACHEKMT2AMEN1NPC1
SCHEMBL9108331 0.89 BCHE (0.49) BCHEACHEKMT2AMEN1ALDH1A1
SCHEMBL9104212 0.86 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9105245 0.86 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EMAPTTSHR
SCHEMBL3698931 0.86 SNCA (0.42) BCHEACHEKMT2AMEN1NPC1
SCHEMBL3702498 0.84 HPGD (0.39) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL3701709 0.83 HPGD (0.40) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL9105786 0.81 GPBAR1 (0.33) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3693009 0.81 DRD3 (0.42) KMT2AMEN1NPC1RAB9ASIRT1
SCHEMBL9104473 0.80 LMNA (0.39) KMT2AMEN1KDM4EMAPT

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.