SCHEMBL3699488

SCHEMBL3699488

O=C(CC1C(=O)N(CCc2ccccc2)CC(=O)N1CCc1cccs1)NCCc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
POLB P06746 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
HPGD P15428 2/20 0.38
ADAM17 P78536 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL3696921 0.97 POLB (0.42) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3702511 0.94 MAPT (0.44) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3700558 0.92 MAPT (0.52) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3703486 0.90 MEN1 (0.54) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3705173 0.90 KMT2A (0.43) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3700195 0.90 MAPT (0.47) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3707205 0.90 CA1 (0.53) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3707046 0.90 MAPT (0.46) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL16743093 0.89 SMN1; SMN2 (0.43) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3710412 0.89 MAPT (0.51) MAPTALDH1A1MEN1KMT2AGAA

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 6 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
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 4448/4885ALDH1A1 701/4885MEN1 3731/4885

“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.