SCHEMBL365871

SCHEMBL365871

COc1ccc(C(=O)/C=C/c2scnc2C)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
NNMT P40261 2/20 0.47
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GPR183 P32249 5/20 0.39
KCNH2 Q12809 1/20 0.39
LY96 Q9Y6Y9 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
F3 P13726 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
GABRA1 P14867 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL1390404 1.00 MAOA (0.53) MAOAMAOBNNMTMKNK1MKNK2
SCHEMBL28756445 0.79 MAPT (0.51) MAOAMAOBLY96RAB9ANPC1
SCHEMBL3340551 0.74 DPP4 (0.46) LY96MAPT
SCHEMBL363681 0.74 TUBB4A (0.35) MAOAMAOBNNMTLY96
SCHEMBL3340539 0.74 DPP4 (0.46) LY96MAPT
SCHEMBL1390185 0.73 GPR183 (0.66) MAOAMAOBNNMTGPR183KCNH2
SCHEMBL27313612 0.73 NNMT (0.66) MAOAMAOBNNMTMKNK1MKNK2
SCHEMBL369665 0.72 MAOA (0.65) MAOAMAOBNNMTGPR183KCNH2
SCHEMBL369545 0.72 MAOB (0.80) MAOAMAOBNNMTGPR183KCNH2
SCHEMBL31252801 0.72 CHRNA7 (0.50) ABCG2CYP1A1CYP1A2CYP1B1

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 MAOA 2715/4885MAOB 1814/4885NNMT 3132/4885

“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.