SCHEMBL3701945

SCHEMBL3701945

O=C(CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1Cc1ccc(C(F)(F)F)cc1)NCCc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GAA P10253 1/20 0.37
P2RX7 Q99572 1/20 0.37
CNR1 P21554 2/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
LMNA P02545 1/20 0.35
SNCA P37840 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL3704087 0.91 TAAR1 (0.44) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3702498 0.86 HPGD (0.39) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5956283 0.85 APAF1 (0.45) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3702975 0.84 HPGD (0.44) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL9102425 0.82 MAPT (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL9102458 0.79 MAPT (0.42) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL3698682 0.77 BCHE (0.46) ALDH1A1SNCAMEN1KMT2A
SCHEMBL3696486 0.77 BCHE (0.48) ALDH1A1TRPV1SNCAMEN1KMT2A
SCHEMBL9105245 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL3700931 0.76 PPARG (0.36) ALDH1A1MAPTSMN1; SMN2GAAKCNH2

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 ALDH1A1 701/4885HPGD 2081/4885KDM4E 3196/4885

“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.