SCHEMBL1390195

SCHEMBL1390195

COC(=O)CNC(=O)c1ccc(-c2ccc(C(CC(=O)c3ccnc(C)c3)c3ccccc3C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.58
▸ CTSA P10619 3/20 0.39
▸ SLC6A9 P48067 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ VEGFA P15692 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ EGLN3 Q9H6Z9 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL1389938 1.00 GPBAR1 (0.58) GPBAR1CTSASLC6A9ROCK2ROCK1
SCHEMBL362415 0.92 GPBAR1 (0.61) GPBAR1CTSASLC6A9PSEN1PSEN2
SCHEMBL364808 0.92 GPBAR1 (0.61) GPBAR1CTSASLC6A9PSEN1PSEN2
SCHEMBL1390128 0.87 MAPK1 (0.46) GPBAR1CTSAMAPK1PSEN1PSEN2
SCHEMBL364671 0.87 GPBAR1 (0.64) GPBAR1CTSAROCK2ROCK1MAPT
SCHEMBL362804 0.86 GPBAR1 (0.59) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389957 0.86 GPBAR1 (0.55) GPBAR1CTSAMAPTPSEN1PSEN2
SCHEMBL362812 0.85 GPBAR1 (0.78) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL363310 0.85 GPBAR1 (0.78) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL365538 0.85 GPBAR1 (0.78) GPBAR1CTSAPSEN1PSEN2APH1B

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
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 1/4885CTSA 3225/4885SLC6A9 1778/4885

“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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