SCHEMBL19213004

SCHEMBL19213004

C=C(Oc1ccc(C#N)cc1)C(=O)c1ccc(SC)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.51
CYP11B2 P19099 3/20 0.51
MAPT P10636 5/20 0.40
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MGLL Q99685 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL19212937 0.87 CYP11B1 (0.65) CYP11B1CYP11B2MAPTGAAALDH1A1
SCHEMBL17723965 0.81 CYP11B1 (0.78) CYP11B1CYP11B2
SCHEMBL26813866 0.80 CYP11B1 (0.44) CYP11B1CYP11B2MAPTALDH1A1LMNA
SCHEMBL19212925 0.79 CYP11B1 (0.49) CYP11B1CYP11B2MAPTALDH1A1KMT2A
SCHEMBL19212943 0.72 CYP11B1 (0.65) CYP11B1CYP11B2MAPTALDH1A1THRB
SCHEMBL19212928 0.70 CYP11B1 (0.65) CYP11B1CYP11B2MAPTALDH1A1THRB
SCHEMBL19212982 0.69 CYP11B1 (0.65) CYP11B1CYP11B2ALDH1A1THRBCYP1A2
SCHEMBL9905864 0.69 ALDH1A1 (0.49) CYP11B1CYP11B2MAPTALDH1A1THRB
SCHEMBL26813754 0.68 CYP11B1 (0.48) CYP11B1CYP11B2MAPTHPGDLMNA
SCHEMBL19212984 0.68 CYP11B1 (0.67) CYP11B1CYP11B2MAPTGAAALDH1A1

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 32/4885MAPT 2447/4885

“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.