SCHEMBL363287

SCHEMBL363287

Cn1cc(C(CC(c2ccc(Br)cc2)c2ccc(Cl)cc2F)=NO)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.44
KMT2A Q03164 1/20 0.36
EGFR P00533 3/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
MDM2 Q00987 1/20 0.32
S1PR3 Q99500 4/20 0.31
S1PR1 P21453 2/20 0.31
OPRM1 P35372 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
SCHEMBL363286 1.00 GPBAR1 (0.44) GPBAR1KMT2AEGFRBRD4BRD2
SCHEMBL369601 0.91 GPBAR1 (0.36) GPBAR1EGFRBRD4MDM2S1PR3
SCHEMBL369603 0.91 GPBAR1 (0.36) GPBAR1EGFRBRD4MDM2S1PR3
SCHEMBL369602 0.91 GPBAR1 (0.36) GPBAR1EGFRBRD4MDM2S1PR3
SCHEMBL370260 0.90 GPBAR1 (0.45) GPBAR1KMT2AEGFRBRD4
SCHEMBL370504 0.90 GPBAR1 (0.45) GPBAR1KMT2AEGFRBRD4
SCHEMBL369685 0.90 GPBAR1 (0.45) GPBAR1KMT2AEGFRBRD4BRD2
SCHEMBL370261 0.90 GPBAR1 (0.45) GPBAR1KMT2AEGFRBRD4
SCHEMBL369684 0.90 GPBAR1 (0.45) GPBAR1KMT2AEGFRBRD4BRD2
SCHEMBL1390225 0.90 GPBAR1 (0.35) GPBAR1EGFRMDM2S1PR3S1PR1

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 8 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
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 1/4885KMT2A 3981/4885EGFR 2863/4885

“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.