SCHEMBL20804368

SCHEMBL20804368

O=C(NCc1ccccc1)Nc1cc(NC(=O)NCc2ccccc2)cc(NC(=O)NCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 1/20 0.65
MAOB P27338 1/20 0.65
HTT P42858 1/20 0.65
MEN1 O00255 1/20 0.65
TP53 P04637 1/20 0.65
HPGD P15428 1/20 0.65
KMT2A Q03164 1/20 0.65
MAPT P10636 1/20 0.64
KDR P35968 1/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA12 O43570 1/20 0.62
CA9 Q16790 1/20 0.62
ROCK2 O75116 1/20 0.62
ROCK1 Q13464 1/20 0.62
GSK3B P49841 2/20 0.61
CFD P00746 1/20 0.60

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
SCHEMBL2831462 0.90 NPC1 (0.77) NPC1RAB9ASMN1; SMN2POLBMAOB
SCHEMBL20911013 0.88 NPC1 (0.69) NPC1RAB9ASMN1; SMN2POLBMAOB
SCHEMBL4347380 0.85 CA1 (0.56) NPC1RAB9ASMN1; SMN2POLBMAOB
SCHEMBL4349130 0.85 RAB9A (0.61) NPC1RAB9ASMN1; SMN2POLBMAOB
SCHEMBL27583015 0.85 KDR (0.64) NPC1RAB9ASMN1; SMN2POLBMAOB
SCHEMBL4350061 0.85 MTOR (0.55) NPC1RAB9ASMN1; SMN2POLBMAOB
SCHEMBL2704691 0.85 MAPT (0.66) NPC1RAB9ASMN1; SMN2POLBMAOB
SCHEMBL10133206 0.84 ROCK2 (0.80) NPC1RAB9ASMN1; SMN2POLBMAOB
SCHEMBL22588922 0.84 NPC1 (0.68) NPC1RAB9ASMN1; SMN2POLBMAOB
SCHEMBL14025738 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2POLBMAOB

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-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE CENTRE HOSPITALIER DE L'UNIVERSITÉ DE MONTRÉAL (CA) 2020-08-06 US disclosed
WO-2019046931-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-03-14 WO 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-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE RAN, RANBP1, GDI2 NPC1 101/4885RAB9A 24/4885SMN1; SMN2 2668/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 NPC1 101/4885RAB9A 24/4885SMN1; SMN2 2668/4885

“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.