SCHEMBL1389806

SCHEMBL1389806

Cc1cc(Cl)ccc1[C@H](CC(Cc1ccccn1)=NO)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.39
CYP2D6 P10635 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD1 P21728 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
HRH1 P35367 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
LMNA P02545 2/20 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
SCHEMBL364485 1.00 GPBAR1 (0.39) GPBAR1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL1389805 1.00 GPBAR1 (0.39) GPBAR1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL1390116 0.87 GPBAR1 (0.50) GPBAR1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL363376 0.87 GPBAR1 (0.50) GPBAR1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL1390118 0.87 GPBAR1 (0.50) GPBAR1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL363104 0.87 MAPT (0.41) GPBAR1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL1390465 0.87 MAPT (0.41) GPBAR1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL363783 0.77 GPBAR1 (0.46) GPBAR1KMT2A
SCHEMBL371235 0.77 GPBAR1 (0.46) GPBAR1KMT2A
SCHEMBL371237 0.77 GPBAR1 (0.46) GPBAR1KMT2A

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 4 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-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 1/4885CYP2D6 948/4885KDM4E 4298/4885

“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.