SCHEMBL1390422

SCHEMBL1390422

CCOc1ccc(C(CC(=O)c2ccnc(C)c2)c2ccccc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.57
▸ CNR2 P34972 1/20 0.42
▸ NR3C2 P08235 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MGAM O43451 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ SI P14410 3/20 0.40
▸ MGAM2 Q2M2H8 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1390420 1.00 GPBAR1 (0.57) GPBAR1CNR2NR3C2FFAR1L3MBTL1
SCHEMBL1390447 0.90 GPBAR1 (0.62) GPBAR1NR3C2MGAMGAASI
SCHEMBL1390446 0.90 GPBAR1 (0.62) GPBAR1NR3C2MGAMGAASI
SCHEMBL362868 0.89 GPBAR1 (0.56) GPBAR1NR3C2L3MBTL1MGAMGAA
SCHEMBL364037 0.88 GPBAR1 (0.72) GPBAR1NR3C2MGAMGAASI
SCHEMBL1390535 0.88 GPBAR1 (0.60) GPBAR1NR3C2L3MBTL1MGAMGAA
SCHEMBL1390536 0.88 GPBAR1 (0.60) GPBAR1NR3C2L3MBTL1MGAMGAA
SCHEMBL363087 0.88 GPBAR1 (0.72) GPBAR1NR3C2MGAMGAASI
SCHEMBL1390417 0.87 GPBAR1 (0.59) GPBAR1NR3C2MGAMGAASI
SCHEMBL368205 0.87 GPBAR1 (0.59) GPBAR1NR3C2MGAMGAASI

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 4 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 claimed
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
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 1/4885CNR2 100/4885NR3C2 232/4885

“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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