SCHEMBL370536

SCHEMBL370536

Cc1ccccc1[C@H](CC(=NO)c1ccc(=O)n(C)c1)c1ccc(C2CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.47
APAF1 O14727 1/20 0.34
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TLR4 O00206 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ESRRB O95718 2/20 0.32
ESR1 P03372 2/20 0.32
ESRRG P62508 2/20 0.32
BRD4 O60885 1/20 0.32
KCNH2 Q12809 1/20 0.32
P2RY14 Q15391 1/20 0.31
LIMK2 P53671 1/20 0.31
OPRD1 P41143 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
SCHEMBL370534 1.00 GPBAR1 (0.47) GPBAR1APAF1SLC18A3SIGMAR1TLR4
SCHEMBL370535 1.00 GPBAR1 (0.47) GPBAR1APAF1SLC18A3SIGMAR1TLR4
SCHEMBL370533 1.00 GPBAR1 (0.47) GPBAR1APAF1SLC18A3SIGMAR1TLR4
Bicarbonate SCHEMBL15949191 0.90 GPBAR1 (0.47) GPBAR1APAF1BRD4
SCHEMBL1390234 0.89 GPBAR1 (0.51) GPBAR1APAF1BRD4
SCHEMBL1389856 0.89 GPBAR1 (0.51) GPBAR1APAF1BRD4
SCHEMBL1390568 0.89 GPBAR1 (0.51) GPBAR1APAF1BRD4
SCHEMBL370166 0.89 GPBAR1 (0.51) GPBAR1APAF1BRD4
SCHEMBL1389852 0.89 GPBAR1 (0.51) GPBAR1APAF1BRD4
SCHEMBL370165 0.89 GPBAR1 (0.51) GPBAR1APAF1BRD4

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 1/4885APAF1 2922/4885SLC18A3 2190/4885

“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.