SCHEMBL2425894

SCHEMBL2425894

CC(C)(C)OC(=O)n1c(-c2ccnc(Cl)c2)cc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 20/20 0.60
▸ NR1H3 Q13133 3/20 0.56

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
SCHEMBL28578718 0.84 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL17220664 0.82 NR1H2 (0.66) NR1H2NR1H3
SCHEMBL17220651 0.82 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL14765162 0.82 NR1H2 (0.54) NR1H2NR1H3
SCHEMBL2528316 0.82 KDR (0.41) NR1H2NR1H3
SCHEMBL14367891 0.81 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL30619487 0.81 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL17220679 0.81 NR1H2 (0.71) NR1H2NR1H3
SCHEMBL1897505 0.81 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL1606183 0.80 NR1H2 (0.59) NR1H2NR1H3

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
EP-2542545-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE Merck Sharp & Dohme Corp. (US) 2013-01-09 — — EP disclosed
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 — — US disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 — — WO disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 — — 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-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE HCCS, EIF2AK2, RNGTT NR1H2 952/4885NR1H3 882/4885

“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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