SCHEMBL369545

SCHEMBL369545

COc1ccc(C(=O)C=Cc2cc(Cl)cc(Cl)c2)cn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.80
MAOA P21397 2/20 0.80
ABCG2 Q9UNQ0 4/20 0.49
NNMT P40261 1/20 0.49
CXCL12 P48061 1/20 0.47
CXCR4 P61073 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP1B1 Q16678 2/20 0.45
MCL1 Q07820 2/20 0.45
CYP2D6 P10635 1/20 0.45
GPR183 P32249 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
F3 P13726 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KRAS P01116 1/20 0.44

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
SCHEMBL363510 1.00 MAOB (0.80) MAOBMAOAABCG2NNMTCXCL12
SCHEMBL369665 0.84 MAOA (0.65) MAOBMAOAABCG2NNMTCXCL12
SCHEMBL369664 0.84 MAOA (0.65) MAOBMAOAABCG2NNMTCXCL12
SCHEMBL362851 0.81 MAOB (0.67) MAOBMAOAABCG2NNMTSMN1; SMN2
SCHEMBL1390537 0.81 MAOB (0.67) MAOBMAOAABCG2NNMTSMN1; SMN2
SCHEMBL1390294 0.80 MAOB (0.66) MAOBMAOAABCG2NNMTSMN1; SMN2
SCHEMBL1390185 0.80 GPR183 (0.66) MAOBMAOANNMTCXCL12CYP1B1
SCHEMBL1390730 0.79 MAOB (0.65) MAOBMAOAABCG2NNMTCXCL12
SCHEMBL1390298 0.79 MAOB (0.65) MAOBMAOAABCG2NNMTCXCL12
SCHEMBL1390328 0.78 MAOB (0.66) MAOBMAOAABCG2NNMTSMN1; SMN2

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 MAOB 1814/4885MAOA 2715/4885ABCG2 2169/4885

“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.