SCHEMBL3709934

SCHEMBL3709934

O=C(CC1C(=O)N(Cc2ccccc2)CC(=O)N1CCc1cccs1)NCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 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
SCHEMBL3707046 0.95 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1NPSR1NPC1
SCHEMBL3707389 0.93 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3700195 0.92 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1L3MBTL1HDAC1
SCHEMBL3694967 0.90 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3702511 0.90 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1L3MBTL1HDAC1
SCHEMBL3700895 0.89 MEN1 (0.41) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3695715 0.88 CA2 (0.52) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3692426 0.87 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1NPSR1NPC1
SCHEMBL3694411 0.87 KMT2A (0.41) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3706430 0.87 MEN1 (0.53) MAPTSMN1; SMN2ALDH1A1HDAC1HDAC8

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 4 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-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 4448/4885SMN1; SMN2 2020/4885ALDH1A1 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.