SCHEMBL362520

SCHEMBL362520

CCOC(=O)C(C#N)c1cccc(C(CC(=O)c2ccnc(C)c2)c2ccccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.46
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ MGAM O43451 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CTSA P10619 6/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL1390326 0.93 GPBAR1 (0.52) GPBAR1MEN1KMT2AGAASMN1; SMN2
SCHEMBL1390447 0.82 GPBAR1 (0.62) GPBAR1MEN1KMT2AGAANR3C2
SCHEMBL1390446 0.82 GPBAR1 (0.62) GPBAR1MEN1KMT2AGAANR3C2
SCHEMBL362868 0.82 GPBAR1 (0.56) GPBAR1MEN1KMT2AGAASMN1; SMN2
SCHEMBL371138 0.80 GAA (0.44) GPBAR1MEN1KMT2AGAASMN1; SMN2
SCHEMBL1390038 0.80 GPBAR1 (0.52) GPBAR1GAANR3C2MGAMSI
SCHEMBL1390422 0.80 GPBAR1 (0.57) GPBAR1KMT2AGAASMN1; SMN2NPC1
SCHEMBL1390420 0.80 GPBAR1 (0.57) GPBAR1KMT2AGAASMN1; SMN2NPC1
SCHEMBL1390071 0.78 GPBAR1 (0.51) GPBAR1GAANR3C2MGAMSI
SCHEMBL364000 0.77 GPBAR1 (0.57) GPBAR1GAASMN1; SMN2NPC1NR3C2

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — US 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885MEN1 1315/4885KMT2A 3981/4885

“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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