SCHEMBL3701796

SCHEMBL3701796

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TEAD1 P28347 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9105786 0.89 GPBAR1 (0.33) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL9105245 0.88 ALDH1A1 (0.41) KMT2AALDH1A1MAPTHSD17B10KDM4E
SCHEMBL9104473 0.87 LMNA (0.39) MEN1KMT2APOLBMAPTHPGD
SCHEMBL3701709 0.86 HPGD (0.40) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL9099926 0.86 HDAC1 (0.32) MAPTHDAC1HDAC8HDAC6
SCHEMBL3700824 0.85 ITGB2 (0.37) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL9104212 0.85 ALDH1A1 (0.40) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3702422 0.84 GPBAR1 (0.35) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL9107195 0.83 MEN1 (0.41) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3702498 0.83 HPGD (0.39) MEN1KMT2AALDH1A1MAPTHPGD

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 MEN1 3731/4885KMT2A 4192/4885POLB 1562/4885

“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.