SCHEMBL19213009

SCHEMBL19213009

C=C(Oc1ccc(C#N)cc1)C(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.55
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
SGMS2 Q8NHU3 3/20 0.44
AR P10275 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
BACE1 P56817 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
FOLH1 Q04609 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL17723964 0.81 CYP11B1 (0.72) MAOBCYP11B1CYP11B2TRPM8
SCHEMBL19212930 0.81 CYP11B1 (0.69) MAOBCYP11B1CYP11B2RAB9ANR4A2
SCHEMBL19212925 0.76 CYP11B1 (0.49) CYP11B1CYP11B2F2
SCHEMBL10434802 0.76 SGMS2 (0.57) SGMS2NPC1RAB9AHTTL3MBTL1
SCHEMBL1647357 0.75 FOLH1 (0.62) MAOBL3MBTL1FOLH1
SCHEMBL19212981 0.74 CYP11B1 (0.67) CYP11B1CYP11B2L3MBTL1
SCHEMBL403151 0.73 MAOB (1.00) MAOBARRAB9AL3MBTL1GAA
SCHEMBL11583825 0.73 SGMS2 (0.56) SGMS2NPC1HTTL3MBTL1GAA
SCHEMBL27723974 0.72 SGMS2 (0.59) SGMS2NPC1HTTL3MBTL1GAA
SCHEMBL10346925 0.72 SGMS2 (0.62) SGMS2NPC1HTTL3MBTL1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790217-B2 Pyridinyloxy- and phenyloxy-pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-17 US disclosed
US-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 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-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS PDXK, PNPO, PAH MAOB 450/4885CYP11B1 84/4885CYP11B2 32/4885

“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.