SCHEMBL363384

SCHEMBL363384

Cc1ccccc1C(CC(=O)c1ccncc1)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.51
GAA P10253 4/20 0.51
SI P14410 4/20 0.51
MGAM2 Q2M2H8 4/20 0.51
GPBAR1 Q8TDU6 4/20 0.48
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLOD1 Q02809 1/20 0.43
HIF1A Q16665 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL14936693 0.88 GPBAR1 (0.47) MGAMGAASIMGAM2GPBAR1
SCHEMBL14936474 0.88 GPBAR1 (0.47) MGAMGAASIMGAM2GPBAR1
SCHEMBL365393 0.87 MGAM (0.54) MGAMGAASIMGAM2GPBAR1
SCHEMBL1390278 0.86 MGAM (0.52) MGAMGAASIMGAM2GPBAR1
SCHEMBL364416 0.86 GPBAR1 (0.59) MGAMGAASIMGAM2GPBAR1
SCHEMBL1390417 0.86 GPBAR1 (0.59) MGAMGAASIMGAM2GPBAR1
SCHEMBL368205 0.86 GPBAR1 (0.59) MGAMGAASIMGAM2GPBAR1
SCHEMBL361906 0.85 GPBAR1 (0.57) MGAMGAASIMGAM2GPBAR1
SCHEMBL364507 0.85 MGAM (0.52) MGAMGAASIMGAM2GPBAR1
SCHEMBL1390210 0.84 GPBAR1 (0.61) MGAMGAASIMGAM2GPBAR1

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 6 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
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 MGAM 2443/4885GAA 2696/4885SI 3902/4885

“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.