SCHEMBL19212930

SCHEMBL19212930

C=C(Oc1ccc(C#N)cc1)C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.69
CYP11B2 P19099 1/20 0.69
SMPD1 P17405 2/20 0.58
MAOB P27338 3/20 0.57
NR4A2 P43354 2/20 0.55
SRD5A2 P31213 1/20 0.50
GUSB P08236 1/20 0.49
PTPN1 P18031 1/20 0.49
GPR34 Q9UPC5 1/20 0.48
RAB9A P51151 1/20 0.47
MAOA P21397 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.47
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL17723897 0.82 CYP11B1 (1.00) CYP11B1CYP11B2SMPD1MAOBNR4A2
SCHEMBL19213009 0.81 MAOB (0.55) CYP11B1CYP11B2MAOBNR4A2RAB9A
SCHEMBL30392119 0.79 SMPD1 (0.74) CYP11B1CYP11B2SMPD1MAOBNR4A2
SCHEMBL25214512 0.79 SMPD1 (0.74) CYP11B1CYP11B2SMPD1MAOBNR4A2
SCHEMBL19212982 0.78 CYP11B1 (0.65) CYP11B1CYP11B2MAOB
SCHEMBL4684138 0.76 MRGPRX4 (0.70) NR4A2RAB9AMRGPRX4
SCHEMBL19212927 0.76 CYP11B1 (0.68) CYP11B1CYP11B2RAB9AMRGPRX4
SCHEMBL8193954 0.76 NR4A2 (0.72) SMPD1MAOBNR4A2SRD5A2PTPN1
SCHEMBL8189375 0.76 NR4A2 (0.77) SMPD1MAOBNR4A2SRD5A2PTPN1
SCHEMBL403151 0.75 MAOB (1.00) MAOBNR4A2RAB9AMAOA

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-3212636-B1 NEW PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-11-29 EP disclosed
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 CYP11B1 84/4885CYP11B2 32/4885SMPD1 4672/4885

“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.