SCHEMBL369510

SCHEMBL369510

Cc1cc(Cl)ccc1C(CC(=O)c1ccc[n+]([O-])c1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
GPR84 Q9NQS5 3/20 0.44
MGAM O43451 5/20 0.41
GAA P10253 5/20 0.41
SI P14410 5/20 0.41
MGAM2 Q2M2H8 5/20 0.41
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL368766 0.89 GPR84 (0.43) KMT2AGPR84MGAMGAASI
SCHEMBL371142 0.88 MGAM (0.41) KMT2AGPR84MGAMGAASI
SCHEMBL370667 0.88 KMT2A (0.46) KMT2AGPR84MGAMGAASI
SCHEMBL369497 0.86 MGAM (0.47) KMT2AGPR84MGAMGAASI
SCHEMBL364274 0.83 KMT2A (0.44) KMT2AMGAMGAASIMGAM2
SCHEMBL364275 0.83 KMT2A (0.44) KMT2AMGAMGAASIMGAM2
SCHEMBL369804 0.82 MGAM (0.47) KMT2AGPR84MGAMGAASI
SCHEMBL1390412 0.82 MGAM (0.41) KMT2AGPR84MGAMGAASI
SCHEMBL370450 0.78 GAA (0.47) KMT2AGPR84MGAMGAASI
SCHEMBL363436 0.78 KMT2A (0.47) KMT2APOLBMEN1CYP2C9CYP2C19

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 KMT2A 3981/4885GPR84 51/4885MGAM 2443/4885

“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.