SCHEMBL3703301

SCHEMBL3703301

O=C(CC1C(=O)N(CCc2ccccc2)CC(=O)N1CCc1cccs1)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.40
GLA P06280 1/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL3697879 0.98 HPGD (0.48) HPGDRAB9AMAPTMEN1KMT2A
SCHEMBL3694914 0.93 MAPT (0.48) HPGDRAB9AMAPTMEN1KMT2A
SCHEMBL3692352 0.91 MEN1 (0.47) HPGDRAB9AMAPTMEN1KMT2A
SCHEMBL3696617 0.89 MAPT (0.48) HPGDRAB9AMAPTMEN1KMT2A
SCHEMBL3699488 0.89 MAPT (0.43) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL3702419 0.88 MAPT (0.44) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL3699608 0.88 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL3700558 0.88 MAPT (0.52) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL3694997 0.88 APAF1 (0.51) HPGDRAB9AMAPTMEN1KMT2A
SCHEMBL3700195 0.86 MAPT (0.47) HPGDMAPTMEN1KMT2AALDH1A1

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 HPGD 2081/4885RAB9A 3904/4885MAPT 4448/4885

“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.