SCHEMBL893108

SCHEMBL893108

NC(=O)c1cnc(NCCc2ccccc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK5 Q00535 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
RPS6KB1 P23443 1/20 0.46
AKT1 P31749 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK13 O15264 1/20 0.45

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
SCHEMBL23540420 0.88 NPC1 (0.49) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL23541167 0.84 MAPT (0.52) NPC1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL23540361 0.78 HDAC6 (0.50) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4025365 0.77 ATM (0.45) NPC1ALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL14066802 0.75 CCNE1 (0.55) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6162728 0.75 CCNE1 (0.50) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4557739 0.74 MAPK14 (0.50) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4255759 0.74 SCD (0.56) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5564231 0.73 MAPK13 (0.63) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7828381 0.71 CCNE1 (0.67) NPC1MEN1KMT2AALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
US-8618138-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2013-12-31 US disclosed
US-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-04-05 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 (2 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-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN NPC1 704/4885MEN1 3335/4885KMT2A 2251/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN NPC1 704/4885MEN1 3335/4885KMT2A 2251/4885

“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.