SCHEMBL10132965

SCHEMBL10132965

CN1CCN(CCOc2ccc(-c3ccc(CCNC(=O)c4ccccc4)cc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
LTA4H P09960 3/20 0.56
KCNA5 P22460 2/20 0.50
AURKA O14965 1/20 0.50
DRD3 P35462 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL10132780 0.89 HPGD (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10133033 0.87 TUBB4A (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23291236 0.84 LTA4H (0.59) MEN1KMT2ARAB9ALTA4HKCNA5
SCHEMBL10132920 0.84 HRH3 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10132985 0.81 LTA4H (0.64) MEN1KMT2ANPC1RAB9ALTA4H
SCHEMBL3868656 0.80 NPC1 (0.67) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11754722 0.80 HDAC2 (0.59) NPC1RAB9ASMN1; SMN2MAPTDRD3
SCHEMBL23928134 0.79 RAB9A (0.56) NPC1RAB9ALTA4HDRD3HPGD
SCHEMBL10132993 0.79 LTA4H (0.61) MEN1KMT2ANPC1RAB9ALTA4H
SCHEMBL10132964 0.78 TUBB4A (0.63) MEN1KMT2ANPC1RAB9ALTA4H

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 MEN1 2398/4885KMT2A 2598/4885NPC1 3447/4885

“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.