SCHEMBL362682

SCHEMBL362682

COc1ccc(C(=O)CC(c2ccc(Br)cc2)c2ccc(Cl)cc2F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GPR183 P32249 3/20 0.38
MEN1 O00255 2/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
USP2 O75604 1/20 0.37
PABPC1 P11940 1/20 0.37
NNMT P40261 1/20 0.37
P2RX3 P56373 1/20 0.37
GABRA5 P31644 1/20 0.36
RECQL P46063 1/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK8 P45983 1/20 0.36
POLB P06746 2/20 0.35
CTSA P10619 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1390583 0.90 GPR183 (0.39) KMT2AGPR183MEN1NNMTKCNH2
SCHEMBL362959 0.89 GPR183 (0.39) KMT2AGPR183NNMTGABRA5KCNH2
SCHEMBL1390485 0.89 KMT2A (0.45) KMT2AMAOAMAOBGPR183MEN1
SCHEMBL364075 0.86 KMT2A (0.39) KMT2AMAOAMAOBGPR183MEN1
SCHEMBL371297 0.86 MGAM (0.42) KMT2AGPR183MEN1NNMTKCNH2
SCHEMBL1390365 0.83 GPR183 (0.39) KMT2AGPR183MEN1NNMTKCNH2
SCHEMBL1390283 0.82 CTSA (0.44) KMT2AGPR183NNMTKCNH2POLB
SCHEMBL362994 0.81 S1PR1 (0.42) KMT2AMAOAMAOBMEN1S1PR1
SCHEMBL1390445 0.81 GPR183 (0.37) KMT2AGPR183MEN1NNMTKCNH2
SCHEMBL364444 0.79 GPBAR1 (0.45) KMT2AS1PR1S1PR3KCNH2POLB

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 3981/4885MAOA 2715/4885MAOB 1814/4885

“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.