SCHEMBL3700729

SCHEMBL3700729

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TBXA2R P21731 4/20 0.38
TP53 P04637 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.36
PTGDR Q13258 2/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGIR P43119 1/20 0.35

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
SCHEMBL3697542 0.89 ITGB2 (0.40) MAPTHDAC1HDAC8HDAC6ITGB2
SCHEMBL9103960 0.88 MAPT (0.43) MAPTHDAC1HDAC8HDAC6ITGB2
SCHEMBL3701041 0.87 MAPT (0.35) MAPTHDAC1HDAC8HDAC6PPARG
SCHEMBL3702422 0.84 GPBAR1 (0.35) HDAC1HDAC8HDAC6TP53ITGB2
SCHEMBL3704831 0.83 APAF1 (0.36) MAPTHDAC1HDAC8HDAC6PPARG
SCHEMBL3701084 0.81 APAF1 (0.44) MAPTHDAC1HDAC8HDAC6ITGB2
SCHEMBL3705192 0.81 MAPT (0.37) MAPTHDAC1HDAC8HDAC6TP53
SCHEMBL3698518 0.81 ADAMTS5 (0.38) HDAC1HDAC8HDAC6PPARGPPARA
SCHEMBL3701509 0.78 KDM4E (0.40) MAPTPPARGMDM2
SCHEMBL3701993 0.78 MAPT (0.47) MAPTTP53

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 MAPT 4448/4885HDAC1 517/4885HDAC8 1813/4885

“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.