SCHEMBL370450

SCHEMBL370450

O=C(CC(c1ccc(Br)cc1)c1ccccc1F)c1ccc[n+]([O-])c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
MGAM O43451 5/20 0.47
SI P14410 5/20 0.47
MGAM2 Q2M2H8 5/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GPR84 Q9NQS5 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
CNR1 P21554 1/20 0.34
HDAC4 P56524 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL369804 0.87 MGAM (0.47) GAAMGAMSIMGAM2KMT2A
SCHEMBL369497 0.87 MGAM (0.47) GAAMGAMSIMGAM2KMT2A
SCHEMBL1390412 0.86 MGAM (0.41) GAAMGAMSIMGAM2KMT2A
SCHEMBL370667 0.86 KMT2A (0.46) GAAMGAMSIMGAM2KMT2A
SCHEMBL371142 0.82 MGAM (0.41) GAAMGAMSIMGAM2KMT2A
SCHEMBL1390334 0.80 MEN1 (0.38) GAAMGAMSIMGAM2KMT2A
SCHEMBL369510 0.78 KMT2A (0.46) GAAMGAMSIMGAM2KMT2A
SCHEMBL370215 0.76 MGAM (0.53) GAAMGAMSIMGAM2KMT2A
SCHEMBL371058 0.75 GAA (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL370222 0.74 GPR84 (0.41) GAAMGAMSIMGAM2KMT2A

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 disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
CN-103153945-A 1-oximino-3-phenyl-propanes HOFFMANN LA ROCHE 2013-06-12 CN 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 GAA 2696/4885MGAM 2443/4885SI 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.