SCHEMBL3701709

SCHEMBL3701709

C#CCN1C(=O)CN(C(Cl)Cc2ccc(Cl)cc2)C(=O)C1CC(=O)NCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CMA1 P23946 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL9104212 0.92 ALDH1A1 (0.40) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL9105786 0.89 GPBAR1 (0.33) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL9105245 0.88 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ALMNA
SCHEMBL9107195 0.88 MEN1 (0.41) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL9104473 0.87 LMNA (0.39) HPGDMEN1MAPTKMT2AHDAC6
SCHEMBL3702422 0.86 GPBAR1 (0.35) ALDH1A1HDAC6HDAC1HDAC8GPBAR1
SCHEMBL3701796 0.86 MEN1 (0.35) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL9099926 0.86 HDAC1 (0.32) MAPTHDAC6HDAC1HDAC8GPBAR1
SCHEMBL3698675 0.85 ALDH1A1 (0.47) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL3700736 0.83 BCHE (0.45) ALDH1A1MEN1MAPTKMT2ANPC1

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 HPGD 2081/4885ALDH1A1 701/4885MEN1 3731/4885

“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.