SCHEMBL10132865

SCHEMBL10132865

[O-][S+](CCc1ccccc1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ LTA4H P09960 4/20 0.62
▸ PRKAB2 O43741 1/20 0.50
▸ FLT1 P17948 1/20 0.50
▸ FLT4 P35916 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ PRKAG1 P54619 1/20 0.50
▸ PRKAA2 P54646 1/20 0.50
▸ ACVR1 Q04771 1/20 0.50
▸ PRKAA1 Q13131 1/20 0.50
▸ PRKAG3 Q9UGI9 1/20 0.50
▸ PRKAG2 Q9UGJ0 1/20 0.50
▸ PRKAB1 Q9Y478 1/20 0.50
▸ ABL1 P00519 1/20 0.48
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48
▸ LYN P07948 1/20 0.48
▸ TUBA3C P0DPH7 1/20 0.48
▸ BCR P11274 1/20 0.48

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
SCHEMBL10132933 0.95 NPC1 (0.56) NPC1RAB9ALTA4HHTTKMT2A
SCHEMBL10132878 0.89 ESR1 (0.50) NPC1RAB9ALTA4HPRKAB2FLT1
SCHEMBL10132996 0.88 LTA4H (0.61) NPC1RAB9ALTA4H
SCHEMBL10132866 0.88 SRC (0.60) NPC1RAB9ALTA4HPRKAB2FLT1
SCHEMBL10132868 0.88 SRC (0.53) NPC1RAB9ALTA4HPRKAB2FLT1
SCHEMBL10132940 0.85 NPC1 (0.47) NPC1RAB9ALTA4HSRCMCHR1
SCHEMBL11898739 0.80 NPC1 (0.97) NPC1RAB9ALTA4HPRKAB2FLT1
SCHEMBL10132850 0.78 NPC1 (0.66) NPC1RAB9ALTA4HPRKAB2FLT1
SCHEMBL7138464 0.78 LTA4H (1.00) NPC1RAB9ALTA4HPSMB1PSMB5
SCHEMBL10133011 0.77 LTA4H (0.52) NPC1RAB9ALTA4HABL1TUBB4A

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.

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