SCHEMBL4453374

SCHEMBL4453374

O=C1CCOC(c2cccnc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.44
CYP2A6 P11509 6/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
LDHA P00338 1/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
CHRNA7 P36544 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8519316 0.80 TSHR (0.48) KDM4ETSHRKMT2ACYP19A1
SCHEMBL8676416 0.80 TSHR (0.48) KDM4ETSHRKMT2ACYP19A1
SCHEMBL4298893 0.80 TSHR (0.48) KDM4ETSHRKMT2ACYP19A1
SCHEMBL16321194 0.78 CYP2A6 (0.43) CYP11B2CYP2A6CYP3A4CHRNB2CHRNA4
SCHEMBL16321193 0.78 CYP2A6 (0.43) CYP11B2CYP2A6CYP3A4CHRNB2CHRNA4
SCHEMBL28585101 0.74 CYP2A6 (0.49) CYP11B2CYP2A6KDM4ECYP3A4THRB
SCHEMBL18301367 0.74 CYP2A6 (0.49) CYP11B2CYP2A6KDM4ECYP3A4THRB
SCHEMBL1444921 0.74
SCHEMBL4672270 0.74
SCHEMBL4478683 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890139-B2 CYP17 inhibitors/antiandrogens ORION CORPORATION (FI) 2018-02-13 US disclosed
US-20160130254-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS ORION CORPORATION (FI) 2016-05-12 US disclosed
WO-2009124882-A1 NOVEL PIPERIDINYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed
WO-2009124882-A1 NOVEL PIPERIDINYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO 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-20160130254-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS CYP17A1, CYP19A1, CYP21A2 CYP11B2 9/4885CYP2A6 66/4885KDM4E 946/4885

“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.