SCHEMBL369862

SCHEMBL369862

CCOC(=O)CCCNC(=O)c1ccc(C(CC(=NO)c2ccc(=O)n(C)c2)c2ccccc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.44
MAPT P10636 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
EPHX2 P34913 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL1389662 1.00 GPBAR1 (0.44) GPBAR1MAPTCYP3A4CYP2C19EPHX2
SCHEMBL1389523 0.91 GPBAR1 (0.47) GPBAR1EPHX2SMN1; SMN2BRD4
SCHEMBL1389526 0.91 GPBAR1 (0.47) GPBAR1EPHX2SMN1; SMN2BRD4
SCHEMBL1389660 0.88 GPBAR1 (0.48) GPBAR1EPHX2BRD4
SCHEMBL1389656 0.88 GPBAR1 (0.48) GPBAR1EPHX2BRD4
SCHEMBL1389903 0.87 GPBAR1 (0.49) GPBAR1MAPTCYP2C19EPHX2SMN1; SMN2
SCHEMBL1389906 0.87 GPBAR1 (0.49) GPBAR1MAPTCYP2C19EPHX2SMN1; SMN2
SCHEMBL1389824 0.86 GPBAR1 (0.50) GPBAR1MAPTCYP2C19EPHX2SMN1; SMN2
SCHEMBL1389827 0.86 GPBAR1 (0.50) GPBAR1MAPTCYP2C19EPHX2SMN1; SMN2
SCHEMBL1389821 0.86 GPBAR1 (0.50) GPBAR1MAPTCYP2C19EPHX2SMN1; SMN2

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-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 1/4885MAPT 4149/4885CYP3A4 1258/4885

“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.