SCHEMBL1390495

SCHEMBL1390495

COc1ncc(C(=O)CC(c2ccc(Br)cc2)c2ccccc2C)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.45
MGAM O43451 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSA P10619 9/20 0.40
GPR183 P32249 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1390493 1.00 GPBAR1 (0.45) GPBAR1MGAMGAASIMGAM2
SCHEMBL1390214 0.87 CTSA (0.45) GPBAR1MGAMGAASIMGAM2
SCHEMBL1390664 0.87 CTSA (0.45) GPBAR1MGAMGAASIMGAM2
SCHEMBL1390215 0.87 CTSA (0.45) GPBAR1MGAMGAASIMGAM2
SCHEMBL1390205 0.83 L3MBTL1 (0.59) GPBAR1MGAMGAASIMGAM2
SCHEMBL1390464 0.82 MGAM (0.46) GPBAR1MGAMGAASIMGAM2
SCHEMBL1390104 0.82 GPBAR1 (0.46) GPBAR1MGAMGAASIMGAM2
SCHEMBL14936474 0.81 GPBAR1 (0.47) GPBAR1MGAMGAASIMGAM2
SCHEMBL14936693 0.81 GPBAR1 (0.47) GPBAR1MGAMGAASIMGAM2
SCHEMBL369737 0.81 MGAM (0.50) GPBAR1MGAMGAASIMGAM2

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 3 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 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 1/4885MGAM 2443/4885GAA 2696/4885

“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.