SCHEMBL2010717

SCHEMBL2010717

CC(C)(C)OC(=O)n1ncc2c(C(=N)NO)cccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.40
▸ MAP2K4 P45985 1/20 0.37
▸ NPC1 O15118 9/20 0.37
▸ RAB9A P51151 9/20 0.37
▸ SCN9A Q15858 3/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ KMT2A Q03164 6/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ELANE P08246 1/20 0.34

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
SCHEMBL1981917 0.84 TP53 (0.44) NPC1RAB9AKMT2AMEN1ELANE
SCHEMBL30376133 0.80 NPC1 (0.46) MAP2K4NPC1RAB9ASCN9ASCN5A
SCHEMBL17632197 0.80 NPC1 (0.46) MAP2K4NPC1RAB9ASCN9ASCN5A
SCHEMBL12601110 0.79 MAP2K4 (0.41) CYP11B2MAP2K4NPC1RAB9ASCN9A
SCHEMBL1161618 0.78 NPC1 (0.52) CYP11B2NPC1RAB9AKMT2AMEN1
SCHEMBL1743109 0.78 MAP2K4 (0.41) MAP2K4NPC1RAB9ASCN9ASCN5A
SCHEMBL29510728 0.77 MAP2K4 (0.45) MAP2K4NPC1RAB9ASCN9ASCN5A
SCHEMBL21223059 0.77 MAP2K4 (0.47) MAP2K4NPC1RAB9ASCN9ASCN5A
SCHEMBL2478647 0.77 MAP2K4 (0.45) MAP2K4NPC1RAB9ASCN9ASCN5A
SCHEMBL3695671 0.77 KMT2A (0.46) MAP2K4NPC1RAB9ASCN9ASCN5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 — — US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 — — EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 — — 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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 CYP11B2 253/4885MAP2K4 3386/4885NPC1 173/4885

“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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