SCHEMBL368121

SCHEMBL368121

Cn1cc(C(CC(c2ccc(Br)cc2F)C2CCCC2)=NO)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAP2K2 P36507 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
EGFR P00533 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
OPRM1 P35372 1/20 0.31
CCR1 P32246 1/20 0.31
CCR2 P41597 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
SCHEMBL368120 1.00 MAP2K1 (0.34) MAP2K1CNR1CNR2MAP2K2BRD4
SCHEMBL371171 0.87 MAP2K1 (0.37) MAP2K1CNR1CNR2MAP2K2BRD4
SCHEMBL369344 0.84 EGFR (0.38) BRD4EGFRGPBAR1
SCHEMBL368994 0.84 EGFR (0.38) BRD4EGFRGPBAR1
SCHEMBL368993 0.84 EGFR (0.38) BRD4EGFRGPBAR1
SCHEMBL368796 0.83 EGFR (0.37) EGFRGPBAR1
SCHEMBL368795 0.83 EGFR (0.37) EGFRGPBAR1
SCHEMBL369900 0.82 EGFR (0.38) BRD4EGFRGPBAR1
SCHEMBL369899 0.82 EGFR (0.38) BRD4EGFRGPBAR1
SCHEMBL368570 0.80 GPBAR1 (0.36) MAP2K1MAP2K2BRD4BRD2BRD3

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 MAP2K1 4690/4885CNR1 56/4885CNR2 100/4885

“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.