SCHEMBL3934496

SCHEMBL3934496

CC(=O)N1CCN(c2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.67
▸ CYP11B1 P15538 3/20 0.67
▸ CYP21A2 P08686 2/20 0.67
▸ CYP3A4 P08684 1/20 0.59
▸ BAZ2B Q9UIF8 1/20 0.59
▸ GFER P55789 3/20 0.56
▸ CASP6 P55212 1/20 0.56
▸ MAPT P10636 6/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ HTT P42858 2/20 0.51
▸ CYP2C9 P11712 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ ENPP2 Q13822 1/20 0.50
▸ MKNK1 Q9BUB5 1/20 0.50
▸ MKNK2 Q9HBH9 1/20 0.50
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL17599097 0.82 CYP17A1 (0.55) CYP17A1CYP11B1CYP21A2CYP3A4BAZ2B
SCHEMBL17923079 0.82 CYP17A1 (0.81) CYP17A1CYP11B1CYP21A2CYP3A4
SCHEMBL17974024 0.82 CYP17A1 (1.00) CYP17A1CYP11B1CYP21A2CYP3A4MAPT
SCHEMBL17923078 0.82 CYP17A1 (0.81) CYP17A1CYP11B1CYP21A2CYP3A4
SCHEMBL28474424 0.81 CYP17A1 (0.54) CYP17A1CYP11B1CYP21A2CYP3A4BAZ2B
SCHEMBL2876802 0.81 GPR119 (0.66) CYP17A1CYP11B1CYP21A2CYP3A4BAZ2B
SCHEMBL3934637 0.80 CYP3A4 (0.52) CYP17A1CYP11B1CYP21A2CYP3A4BAZ2B
SCHEMBL10511405 0.80 HRH4 (0.56) CYP3A4BAZ2BGFERMAPTMEN1
SCHEMBL11072227 0.80 ENPP2 (0.79) CYP17A1CYP11B1CYP21A2CYP3A4BAZ2B
SCHEMBL6603738 0.79 CYP2C9 (0.73) CYP17A1CYP11B1CYP21A2CYP3A4GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2009-12-10 — — US disclosed
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2009-12-10 — — US disclosed
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2009-12-10 — — US disclosed
US-7553837-B2 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2009-06-30 — — US disclosed
US-7553837-B2 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2009-06-30 — — US disclosed
US-7553837-B2 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2009-06-30 — — US disclosed
US-20060247228-A1 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2006-11-02 — — US disclosed
EP-1650206-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS, AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2006-04-26 — — EP 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 (2 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-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NOX1, CBR1, AOX1 CYP17A1 1844/4885CYP11B1 20/4885CYP21A2 822/4885
US-20060247228-A1 Phenylazole compounds production process and antioxidants CBR1, CBR3, NOX3 CYP17A1 1962/4885CYP11B1 16/4885CYP21A2 831/4885

“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.

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