SCHEMBL6326560

SCHEMBL6326560

Cc1c(CN(C)CC(O)c2ccc3c(c2)OCCO3)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.78

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
SCHEMBL6319244 0.96 KCNH2 (0.77) KCNH2
SCHEMBL6320177 0.93 KCNH2 (0.67) KCNH2
SCHEMBL6324169 0.90 KCNH2 (0.66) KCNH2
SCHEMBL6318147 0.89 KCNH2 (0.71) KCNH2
SCHEMBL6317868 0.88 KCNH2 (0.90) KCNH2
SCHEMBL6317282 0.88 KCNH2 (0.88) KCNH2
SCHEMBL6325902 0.88 KCNH2 (1.00) KCNH2
SCHEMBL6318883 0.87 KCNH2 (0.87) KCNH2
SCHEMBL6319832 0.87 KCNH2 (0.79) KCNH2
SCHEMBL6318778 0.86 KCNH2 (0.83) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US claimed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP claimed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO claimed
US-6960573-B2 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED (JP) 2005-11-01 US disclosed
US-6867313-B2 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED (JP) 2005-03-15 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
US-6689766-B2 ALSO FOR TREATING MALIGNANT TUMORS, RHEUMATOID ARTHRITIS, OSTEOPOROSIS, DIABETES MELLITUS, HYPERTENSION, ALOPECIA, ACNE, PSORIASIS, DERMATITIS, HYPERCALCEMIA, HYPOPARATHYROIDISM AND METABOLIC DISORDER OF CARTILAGE. TEIJIN LIMITED (JP) 2004-02-10 US disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
US-6548489-B2 Also for treating malignant tumors, rheumatoid arthritis, osteoporosis, diabetes mellitus, hypertension, alopecia, acne, psoriasis, dermatitis, hypercalcemia, hypoparathyroidism and metabolic disorder of cartilage. TEIJIN LIMITED (JP) 2003-04-15 US disclosed
US-6531460-B1 Vitamin D3 derivatives TEIJIN LIMITED (JP) 2003-03-11 US disclosed
US-20020103173-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED 2002-08-01 US disclosed
US-20020099039-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED 2002-07-25 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 (3 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-20020103173-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 KCNH2 2747/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 KCNH2 491/4885
US-20020099039-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 KCNH2 2747/4885

“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.