SCHEMBL1389780

SCHEMBL1389780

Cn1cc(/C(CC(c2ccc(C(=O)NCC(F)(F)F)c(F)c2)c2ccccc2Cl)=N/O)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.37
F9 P00740 1/20 0.37
BRD4 O60885 1/20 0.35
P2RX7 Q99572 3/20 0.34
GPBAR1 Q8TDU6 3/20 0.33
CTSA P10619 1/20 0.32
PTGES O14684 1/20 0.32
KMT2A Q03164 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
HSD17B2 P37059 1/20 0.31
PKM P14618 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
HTRA1 Q92743 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
SCHEMBL1389788 1.00 OPRD1 (0.37) OPRD1F9BRD4P2RX7GPBAR1
SCHEMBL1389785 1.00 OPRD1 (0.37) OPRD1F9BRD4P2RX7GPBAR1
SCHEMBL369846 0.91 BRD4 (0.40) F9BRD4GPBAR1CTSAKMT2A
SCHEMBL1390102 0.91 BRD4 (0.40) F9BRD4GPBAR1CTSAKMT2A
SCHEMBL1390100 0.91 BRD4 (0.40) F9BRD4GPBAR1CTSAKMT2A
SCHEMBL370346 0.91 OPRD1 (0.38) OPRD1F9BRD4P2RX7CTSA
SCHEMBL370834 0.90 F9 (0.38) F9BRD4GPBAR1CTSAKMT2A
SCHEMBL15949040 0.90 BRD4 (0.36) OPRD1F9BRD4GPBAR1CTSA
SCHEMBL15949041 0.90 BRD4 (0.36) OPRD1F9BRD4GPBAR1CTSA
SCHEMBL15949037 0.90 BRD4 (0.36) OPRD1F9BRD4GPBAR1CTSA

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 7 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
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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
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 OPRD1 261/4885F9 4573/4885BRD4 3540/4885

“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.