SCHEMBL10132930

SCHEMBL10132930

c1ccc(CNCCc2ccc(-c3ccc(OCCCN4CCOCC4)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ LTA4H P09960 1/20 0.57
▸ EPHX2 P34913 2/20 0.55
▸ HRH3 Q9Y5N1 8/20 0.55
▸ HRH1 P35367 2/20 0.55
▸ HRH2 P25021 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SIGMAR1 Q99720 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ BCHE P06276 2/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ SCN1A P35498 1/20 0.52

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
SCHEMBL10132850 0.94 NPC1 (0.66) NPC1RAB9ALTA4HHTTKMT2A
SCHEMBL10132884 0.88 BCHE (0.55) NPC1RAB9ALTA4HHTTKMT2A
SCHEMBL10132855 0.83 SRC (0.62) NPC1RAB9ALTA4HKMT2AKCNH2
SCHEMBL10132852 0.83 TUBB4A (0.69) NPC1RAB9ALTA4HMAPK1ABL1
SCHEMBL10132985 0.82 LTA4H (0.64) NPC1RAB9ALTA4HKMT2ABCHE
SCHEMBL11899308 0.82 RAB9A (0.83) NPC1RAB9ALTA4HEPHX2HRH3
SCHEMBL10132926 0.82 RAB9A (0.57) NPC1RAB9ALTA4HEPHX2HRH3
SCHEMBL10132920 0.81 HRH3 (0.62) NPC1RAB9AEPHX2HRH3KMT2A
SCHEMBL10132928 0.81 NPC1 (0.54) NPC1RAB9ALTA4HEPHX2HRH3
SCHEMBL14287672 0.81 HRH3 (0.71) HRH3SIGMAR1KCNH2ALDH1A1CYP1A2

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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