SCHEMBL1390185

SCHEMBL1390185

COc1ccc(C(=O)C=Cc2ccc(Br)cc2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 8/20 0.66
KCNH2 Q12809 2/20 0.66
MAOB P27338 3/20 0.64
MAOA P21397 2/20 0.64
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
CXCL12 P48061 1/20 0.54
MAPT P10636 3/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
KRAS P01116 1/20 0.53
F3 P13726 1/20 0.52
CYP1B1 Q16678 1/20 0.52
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL363463 0.92 MAOB (0.64) GPR183KCNH2MAOBMAOAESR1
SCHEMBL1390232 0.80 MAOB (0.53) GPR183KCNH2MAOBMAOAMAPT
SCHEMBL369665 0.80 MAOA (0.65) GPR183KCNH2MAOBMAOACXCL12
SCHEMBL363510 0.80 MAOB (0.80) GPR183KCNH2MAOBMAOACXCL12
SCHEMBL369664 0.80 MAOA (0.65) GPR183KCNH2MAOBMAOACXCL12
SCHEMBL369545 0.80 MAOB (0.80) GPR183KCNH2MAOBMAOACXCL12
SCHEMBL30375309 0.80 GPR183 (1.00) GPR183KCNH2
SCHEMBL26093762 0.80 GPR183 (1.00) GPR183KCNH2
SCHEMBL6323431 0.79 MAOB (1.00) MAOBMAOAESR1ESR2MAPT
SCHEMBL5058785 0.79 MAOB (1.00) MAOBMAOAESR1ESR2MAPT

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 3 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
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 GPR183 80/4885KCNH2 1276/4885MAOB 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.