SCHEMBL369995

SCHEMBL369995

Cc1ccccc1C(CC(=NO)c1ccc(=O)n(C)c1)c1ccc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.50
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
CTSA P10619 4/20 0.32
PTGFR P43088 3/20 0.32
CYP3A4 P08684 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
EGFR P00533 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL369994 1.00 GPBAR1 (0.50) GPBAR1MAP2K2MAP2K1CTSAPTGFR
SCHEMBL371379 0.87 GPBAR1 (0.39) GPBAR1MAP2K2MAP2K1CTSAPTGFR
SCHEMBL1390206 0.86 GPBAR1 (0.51) GPBAR1CTSACYP3A4LMNAHTT
SCHEMBL1390207 0.86 GPBAR1 (0.51) GPBAR1CTSACYP3A4LMNAHTT
SCHEMBL369249 0.85 GPBAR1 (0.67) GPBAR1CYP3A4BRD4ALDH1A1LMNA
SCHEMBL370489 0.85 GPBAR1 (0.67) GPBAR1CYP3A4BRD4ALDH1A1LMNA
SCHEMBL370089 0.85 GPBAR1 (0.67) GPBAR1CYP3A4BRD4ALDH1A1LMNA
SCHEMBL370488 0.85 GPBAR1 (0.67) GPBAR1CYP3A4BRD4ALDH1A1LMNA
SCHEMBL370471 0.85 GPBAR1 (0.67) GPBAR1CYP3A4BRD4ALDH1A1LMNA
SCHEMBL370088 0.85 GPBAR1 (0.67) GPBAR1CYP3A4BRD4ALDH1A1LMNA

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 6 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-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 1/4885MAP2K2 4635/4885MAP2K1 4690/4885

“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.