SCHEMBL1219945

SCHEMBL1219945

ClCc1cc(-c2ccc(Cn3ccnc3)cc2)no1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 15/20 0.66
CYP11B2 P19099 13/20 0.66
CYP17A1 P05093 1/20 0.54
CYP19A1 P11511 6/20 0.52
CYP2A6 P11509 1/20 0.50
CYP2B6 P20813 1/20 0.50
TBXAS1 P24557 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
QPCT Q16769 1/20 0.48
CYP4Z1 Q86W10 1/20 0.48
QPCTL Q9NXS2 1/20 0.48

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
SCHEMBL190163 0.80 CYP11B1 (0.76) CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL189814 0.77 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL190093 0.77 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL2529997 0.76 CYP11B1 (0.86) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL1221106 0.75 NOTUM (0.49) CYP11B1CYP11B2CYP2A6CYP2B6CYP1A2
SCHEMBL1024261 0.74 CYP11B1 (0.84) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL190075 0.74 CYP11B1 (0.72) CYP11B1CYP11B2CYP17A1CYP19A1TBXAS1
SCHEMBL1221380 0.74 NOTUM (0.49) CYP11B1CYP11B2POLBMAPT
SCHEMBL1221465 0.74 DRD2 (0.52) POLBCYP2D6
SCHEMBL1221304 0.73 HRH3 (0.54) POLBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed
EP-2178877-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GlaxoSmithKline LLC (US) 2010-04-28 EP disclosed
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 US disclosed
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
US-20090074717-A1 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC 2009-03-19 US disclosed
WO-2009011787-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2009-01-22 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 (4 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-20090074717-A1 Anti-viral compounds, compositions, and methods of use HAVCR2, SARS1, RPL35 CYP11B1 617/4885CYP11B2 587/4885CYP17A1 1884/4885
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, RPL35 CYP11B1 617/4885CYP11B2 587/4885CYP17A1 1884/4885
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 CYP11B1 617/4885CYP11B2 587/4885CYP17A1 1884/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 CYP11B1 1073/4885CYP11B2 1237/4885CYP17A1 1898/4885

“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.