SCHEMBL10133046

SCHEMBL10133046

O=C(NCc1ccccc1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.65
▸ NPC1 O15118 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ EPHX1 P07099 2/20 0.62
▸ ADAMTS4 O75173 1/20 0.60
▸ HDAC1 Q13547 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TAAR1 Q96RJ0 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ FAAH O00519 1/20 0.53
▸ HPGD P15428 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL17552096 0.93 NPC1 (0.69) MGLLNPC1RAB9AEPHX1ADAMTS4
SCHEMBL9124263 0.92 MGLL (0.61) MGLLNPC1RAB9AEPHX1ADAMTS4
SCHEMBL5108159 0.90 NPC1 (0.69) MGLLNPC1RAB9AEPHX1ALDH1A1
SCHEMBL3274691 0.90 FAAH (0.64) MGLLNPC1RAB9AEPHX1ADAMTS4
SCHEMBL27744398 0.90 EPHX1 (0.70) MGLLNPC1RAB9AEPHX1ADAMTS4
SCHEMBL30776776 0.87 NPC1 (0.67) MGLLNPC1RAB9AEPHX1ADAMTS4
SCHEMBL28525779 0.87 NPC1 (0.62) MGLLNPC1RAB9AEPHX1ADAMTS4
SCHEMBL9263805 0.87 NPC1 (0.67) MGLLNPC1RAB9AEPHX1ALDH1A1
SCHEMBL20786881 0.85 NPC1 (0.61) MGLLNPC1RAB9AADAMTS4ALDH1A1
SCHEMBL11673207 0.85 NPC1 (0.61) MGLLNPC1RAB9AEPHX1ADAMTS4

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 MGLL 2369/4885NPC1 3447/4885RAB9A 2804/4885

“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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