SCHEMBL10133110

SCHEMBL10133110

O=C(CC1CCCCC1)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.76
NPC1 O15118 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
EPHX2 P34913 2/20 0.57
ERCC1 P07992 1/20 0.55
ERCC4 Q92889 1/20 0.55
HPGD P15428 2/20 0.54
RECQL P46063 1/20 0.54
BCHE P06276 1/20 0.54
GID4 Q8IVV7 1/20 0.53
LTA4H P09960 1/20 0.53
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL10133114 0.96 RAB9A (0.73) RAB9ANPC1SMN1; SMN2POLBHTR2C
SCHEMBL14724834 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2POLBEPHX2
SCHEMBL10133116 0.86 RAB9A (0.77) RAB9ANPC1SMN1; SMN2POLBEPHX2
SCHEMBL13118269 0.85 RAB9A (0.97) RAB9ANPC1SMN1; SMN2POLBEPHX2
SCHEMBL15680134 0.81 RAB9A (0.82) RAB9ANPC1SMN1; SMN2POLBEPHX2
SCHEMBL5510308 0.80 EGFR (0.58) RAB9ASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL6902866 0.80 EGFR (0.58) RAB9ASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL8389369 0.79 NPC1 (0.71) RAB9ANPC1HPGDRECQLBCHE
SCHEMBL8935238 0.79 LTA4H (0.67) HPGDRECQLBCHEGID4LTA4H
SCHEMBL10133048 0.78 HTR2C (0.55) RAB9ASMN1; SMN2HTR2CHTR2BHPGD

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-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

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 RAB9A 2804/4885NPC1 3447/4885SMN1; SMN2 3645/4885

“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.