SCHEMBL370657

SCHEMBL370657

COc1ccc(C(CC(=O)c2ccc[n+]([O-])c2)c2ccccc2C)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
CTSA P10619 5/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.36
GPR84 Q9NQS5 2/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1390334 0.86 MEN1 (0.38) L3MBTL1CTSAPOLBHTTNPSR1
SCHEMBL371336 0.80 CTSA (0.44) L3MBTL1CTSAPOLBHTTNPSR1
SCHEMBL369570 0.79 CTSA (0.42) L3MBTL1CTSAPOLBHTTNPSR1
SCHEMBL1390333 0.78 CTSA (0.44) L3MBTL1CTSAPOLBHTTNPSR1
SCHEMBL369497 0.74 MGAM (0.47) L3MBTL1POLBHTTNPSR1SMN1; SMN2
SCHEMBL1390412 0.73 MGAM (0.41) POLBHTTNPSR1NPC1ALDH1A1
SCHEMBL371142 0.71 MGAM (0.41) L3MBTL1KMT2AGPR84MEN1MGAM
SCHEMBL370450 0.70 GAA (0.47) L3MBTL1NPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1390300 0.69 PPARG (0.35) CTSAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL1390148 0.69 FFAR1 (0.37) CTSANPSR1LMNAKMT2AMEN1

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 5 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
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 L3MBTL1 2596/4885CTSA 3225/4885POLB 2940/4885

“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.