SCHEMBL20804653

SCHEMBL20804653

COc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(OC)cc3)cc(C(=O)NCc3ccc(OC)cc3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
EPHX2 P34913 2/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
NR1H4 Q96RI1 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
ALDH1A1 P00352 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HPGD P15428 3/20 0.63
MMP13 P45452 2/20 0.63
PPARG P37231 1/20 0.60
PKM P14618 1/20 0.59
HDAC1 Q13547 1/20 0.59
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58
PDE4A P27815 2/20 0.57
PDE4B Q07343 2/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57

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
SCHEMBL26358232 0.94 NPC1 (0.63) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL5331977 0.92 MMP13 (0.76) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL9416606 0.91 NPC1 (0.82) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL11761142 0.91 NPC1 (0.82) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL5215056 0.89 KDM1A (0.72) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL5331526 0.88 MMP13 (0.74) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL2526264 0.87 NPC1 (0.83) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL23985245 0.87 NPC1 (0.61) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL9416562 0.86 MMP13 (0.76) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL5332456 0.85 MMP13 (0.89) NPC1RAB9AMEN1KMT2AALDH1A1

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 24/4885EPHX2 2543/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 NPC1 101/4885RAB9A 24/4885EPHX2 2543/4885

“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.