SCHEMBL19212982

SCHEMBL19212982

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.65
CYP11B2 P19099 4/20 0.65
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.40
ABCC9 O60706 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP1 P09874 1/20 0.40
F2 P00734 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL19212927 0.82 CYP11B1 (0.68) CYP11B1CYP11B2F2CES2CES1
SCHEMBL19212984 0.80 CYP11B1 (0.67) CYP11B1CYP11B2KMT2ATHRBALDH1A1
SCHEMBL17723981 0.79 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL19212930 0.78 CYP11B1 (0.69) CYP11B1CYP11B2MAOB
SCHEMBL19212925 0.76 CYP11B1 (0.49) CYP11B1CYP11B2KMT2AF2CES2
SCHEMBL19212943 0.74 CYP11B1 (0.65) CYP11B1CYP11B2F2THRBALDH1A1
SCHEMBL19212928 0.74 CYP11B1 (0.65) CYP11B1CYP11B2KMT2AF2THRB
SCHEMBL26813866 0.72 CYP11B1 (0.44) CYP11B1CYP11B2MAOBF2KDM4E
SCHEMBL19212996 0.71 CYP11B1 (0.67) CYP11B1CYP11B2CYP2C9CYP2C19MAOB
SCHEMBL19212980 0.71 CYP11B1 (0.50) CYP11B1CYP11B2MEN1KMT2AF2

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 32/4885MEN1 202/4885

“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.