SCHEMBL10132933

SCHEMBL10132933

[O-][S+](CCc1ccccc1)Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ LTA4H P09960 1/20 0.55
▸ HRH3 Q9Y5N1 9/20 0.53
▸ HRH1 P35367 2/20 0.53
▸ HRH2 P25021 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SIGMAR1 Q99720 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ KCNH2 Q12809 2/20 0.50
▸ EPHX2 P34913 2/20 0.50
▸ BCHE P06276 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ SCN1A P35498 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
SCHEMBL10132865 0.95 NPC1 (0.63) NPC1RAB9ALTA4HHTTKMT2A
SCHEMBL10132878 0.88 ESR1 (0.50) NPC1RAB9ALTA4HHRH3HTT
SCHEMBL10132868 0.83 SRC (0.53) NPC1RAB9ALTA4HHRH3HRH1
SCHEMBL10132866 0.83 SRC (0.60) NPC1RAB9ALTA4H
SCHEMBL10132996 0.83 LTA4H (0.61) NPC1RAB9ALTA4HHRH3MAPK1
SCHEMBL11899308 0.80 RAB9A (0.83) NPC1RAB9ALTA4HHRH3HRH1
SCHEMBL10132940 0.80 NPC1 (0.47) NPC1RAB9ALTA4HHRH3KCNH2
SCHEMBL10132930 0.79 NPC1 (0.58) NPC1RAB9ALTA4HHRH3HRH1
SCHEMBL10132932 0.77 EPHX2 (0.63) NPC1RAB9ALTA4HHRH3HRH1
SCHEMBL10132920 0.76 HRH3 (0.62) NPC1RAB9AHRH3KMT2AEPHX2

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 3447/4885RAB9A 2804/4885LTA4H 3326/4885

“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.

Send feedback