SCHEMBL3707690

SCHEMBL3707690

O=C(CC1C(=O)N(CCc2ccccn2)CC(=O)N1CCc1cccs1)NCCc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
FPR3 P25089 1/20 0.45
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDO1 P14902 1/20 0.40
F10 P00742 1/20 0.39
CNR1 P21554 1/20 0.39
TP53 P04637 1/20 0.38
F2 P00734 3/20 0.38
PRSS1 P07477 2/20 0.38

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
SCHEMBL3710412 0.91 MAPT (0.51) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL3700558 0.90 MAPT (0.52) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL3694411 0.90 KMT2A (0.41) MAPTFPR3ALDH1A1LMNAKDM4E
SCHEMBL3699263 0.90 APAF1 (0.45) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL9108704 0.88 MAPT (0.44) MAPTFPR3ALDH1A1LMNAKMT2A
SCHEMBL3697576 0.87 ACHE (0.54) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL3694967 0.87 MAPT (0.52) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL3697169 0.85 MAPT (0.47) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL5956277 0.85 APAF1 (0.48) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL3696921 0.84 POLB (0.42) MAPTALDH1A1KMT2ASMN1; SMN2MEN1

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 7 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-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
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
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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 MAPT 4448/4885FPR3 3733/4885ALDH1A1 701/4885

“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.