SCHEMBL3700931

SCHEMBL3700931

O=C(O)CN(C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1Cc1ccc(C(F)(F)F)cc1)C(Cl)Cc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX3 P56373 1/20 0.33
DAGLA Q9Y4D2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
CCR1 P32246 2/20 0.31
PSEN1 P49768 1/20 0.31

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
SCHEMBL3701041 0.91 MAPT (0.35) PPARGPPARAHDAC1HDAC8HDAC6
SCHEMBL3694908 0.91 PPARG (0.34) PPARGPPARAHDAC1HDAC8HDAC6
SCHEMBL3704831 0.84 APAF1 (0.36) PPARGPPARAHDAC1HDAC8HDAC6
SCHEMBL3707295 0.83 MAPT (0.42) LMNAMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL3698069 0.82 APAF1 (0.46) HDAC1HDAC8HDAC6MAPTAPAF1
SCHEMBL3705192 0.82 MAPT (0.37) HDAC1HDAC8HDAC6LMNAMAPT
SCHEMBL3695489 0.82 APAF1 (0.38) PPARGPPARAHDAC1HDAC8HDAC6
SCHEMBL3702676 0.78 DRD3 (0.37) MAPTSMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL3699046 0.78 APAF1 (0.43) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL3700729 0.78 MAPT (0.40) PPARGPPARAHDAC1HDAC8HDAC6

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 2 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-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 PPARG 3337/4885PPARA 3153/4885HDAC1 517/4885

“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.