SCHEMBL10133183

SCHEMBL10133183

O=C(Cc1ccccc1)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.75
ALDH1A1 P00352 3/20 0.69
LMNA P02545 1/20 0.69
RAB9A P51151 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ERCC1 P07992 1/20 0.63
ERCC4 Q92889 1/20 0.63
HPGD P15428 2/20 0.62
GAA P10253 2/20 0.62
MAPT P10636 1/20 0.62
EPHX2 P34913 5/20 0.62
LTA4H P09960 4/20 0.62
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61

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
SCHEMBL392625 0.86 ALDH1A1 (0.82) NPC1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL5862101 0.86 NPC1 (1.00) NPC1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL28497417 0.86 NPC1 (1.00) NPC1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL8389369 0.84 NPC1 (0.71) NPC1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL10133176 0.84 NPC1 (0.67) NPC1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL8424358 0.84 EPHX2 (0.66) NPC1ALDH1A1LMNARAB9AHPGD
SCHEMBL13192880 0.84 RNF4 (0.62) NPC1ALDH1A1LMNAL3MBTL1ERCC1
SCHEMBL14944099 0.84 MAPK14 (0.61) NPC1ALDH1A1LMNAERCC1ERCC4
SCHEMBL13192876 0.84 HPGD (0.62) NPC1LMNAERCC1ERCC4HPGD
SCHEMBL1728537 0.83 MAPK14 (0.68) ALDH1A1LMNAL3MBTL1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 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 (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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 NPC1 3447/4885ALDH1A1 4811/4885LMNA 2046/4885

“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.