SCHEMBL363978

SCHEMBL363978

COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2F)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 3/20 0.64
MAOB P27338 3/20 0.56
MAOA P21397 1/20 0.56
ABCG2 Q9UNQ0 2/20 0.48
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
AR P10275 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
USP2 O75604 1/20 0.46
PABPC1 P11940 1/20 0.46
PADI4 Q9UM07 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
CTSL P07711 1/20 0.43

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
SCHEMBL363188 0.87 MAOB (0.60) CXCL12MAOBMAOAABCG2MEN1
SCHEMBL364142 0.87 LMNA (0.50) CXCL12MAOBMAOAABCG2LMNA
SCHEMBL363768 0.87 LMNA (0.63) MAOBABCG2LMNAMEN1KMT2A
SCHEMBL364871 0.86 MEN1 (0.47) CXCL12MAOBMAOALMNAMEN1
SCHEMBL363719 0.84 LMNA (0.52) CXCL12MAOBMAOAABCG2LMNA
SCHEMBL365186 0.83 ABCG2 (0.51) MAOBMAOAABCG2LMNAMEN1
SCHEMBL363641 0.78 CXCL12 (0.59) CXCL12MAOBMAOAABCG2LMNA
SCHEMBL364403 0.77 SMN1; SMN2 (0.50) MAOBMAOAABCG2LMNAMEN1
SCHEMBL1390298 0.77 MAOB (0.65) CXCL12MAOBMAOAABCG2LMNA
SCHEMBL1390730 0.77 MAOB (0.65) CXCL12MAOBMAOAABCG2LMNA

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 CXCL12 3072/4885MAOB 1814/4885MAOA 2715/4885

“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.