SCHEMBL6482880

SCHEMBL6482880

COc1ccc(CC(=O)NCc2ccccc2-c2cccc(C(=O)O)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
KCNK3 O14649 2/20 0.54
KCNK5 O95279 1/20 0.54
KCNA5 P22460 1/20 0.54
KCNK17 Q96T54 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 2/20 0.52
KCNH2 Q12809 1/20 0.52
PTPN1 P18031 1/20 0.51
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
DGAT2 Q96PD7 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 1/20 0.46
ERCC1 P07992 1/20 0.46

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
SCHEMBL2634370 0.81 KCNK3 (0.66) NPC1KCNK3KCNK5KCNA5KCNK17
SCHEMBL6168406 0.81 NPC1 (0.48) NPC1KCNK3KCNK5KCNA5KCNK17
SCHEMBL16250691 0.77 NPC1 (0.62) NPC1KCNK3KCNK5KCNA5KCNK17
SCHEMBL12434450 0.75 KCNK3 (0.73) NPC1KCNK3KCNK5KCNA5KCNK17
SCHEMBL27521914 0.75 HPGD (0.50) NPC1KCNA5ALDH1A1SMN1; SMN2HPGD
SCHEMBL5862101 0.74 NPC1 (1.00) NPC1ALDH1A1SMN1; SMN2MEN1RAB9A
SCHEMBL28497417 0.74 NPC1 (1.00) NPC1ALDH1A1SMN1; SMN2MEN1RAB9A
SCHEMBL16234809 0.74 NPC1 (0.58) NPC1KCNK3KCNK5KCNA5KCNK17
SCHEMBL16234810 0.74 NPC1 (0.58) NPC1KCNK3KCNK5KCNA5KCNK17
SCHEMBL12434091 0.73 KCNK3 (0.67) NPC1KCNK3KCNK5KCNA5KCNK17

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-6924392-B2 Ortho, meta-substituted bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-02 US disclosed
US-20030225099-A1 Ortho, meta-substituted bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-12-04 US disclosed
US-6605625-B2 Antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-12 US disclosed
US-20030013719-A1 Ortho, meta-substituted bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-16 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-20030225099-A1 Ortho, meta-substituted bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them PON1, CYP3A43, KCNH1 NPC1 340/4885KCNK3 143/4885KCNK5 127/4885
US-20030013719-A1 Ortho, meta-substituted bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them PON1, CYP3A43, KCNH1 NPC1 340/4885KCNK3 143/4885KCNK5 127/4885

“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.