SCHEMBL1395181

SCHEMBL1395181

COC(=O)c1ccc(-c2ccc(C(CC(=NO)c3ccnc(C)c3)c3ccc(C)cc3)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.53
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTSA P10619 4/20 0.36
▸ MAOB P27338 2/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ APP P05067 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BDKRB1 P46663 1/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ KDM3A Q9Y4C1 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
SCHEMBL364422 0.89 GPBAR1 (0.70) GPBAR1LMNAHTTSMN1; SMN2CTSA
SCHEMBL10240967 0.89 GPBAR1 (0.70) GPBAR1LMNAHTTSMN1; SMN2CTSA
SCHEMBL363921 0.89 GPBAR1 (0.70) GPBAR1LMNAHTTSMN1; SMN2CTSA
SCHEMBL362377 0.81 GPBAR1 (0.76) GPBAR1MAPTSMN1; SMN2KDM4EKDM4C
SCHEMBL10240968 0.80 GPBAR1 (0.80) GPBAR1LMNAMAPTHTTSMN1; SMN2
SCHEMBL363345 0.80 GPBAR1 (0.80) GPBAR1LMNAMAPTHTTSMN1; SMN2
SCHEMBL1389929 0.80 GPBAR1 (0.80) GPBAR1LMNAMAPTHTTSMN1; SMN2
SCHEMBL363707 0.79 GPBAR1 (0.67) GPBAR1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL1390565 0.79 GPBAR1 (0.67) GPBAR1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL364387 0.78 GPBAR1 (0.54) GPBAR1LMNAHTTSMN1; SMN2CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885LMNA 2651/4885MAPT 4149/4885

“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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