SCHEMBL3489619

SCHEMBL3489619

COc1ccccc1CN1C(=O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
LMNA P02545 2/20 0.39
NPBWR1 P48145 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3490557 0.82 CA12 (0.45) KDM4EALDH1A1
SCHEMBL3488658 0.80 CA12 (0.41)
SCHEMBL3490938 0.80 HTR6 (0.44) ALDH1A1
SCHEMBL3490347 0.79 GAA (0.50) LMNA
SCHEMBL3489633 0.78 HCRTR2 (0.48) LMNAKDM4EALDH1A1
SCHEMBL3490560 0.76 CA12 (0.43)
SCHEMBL9273713 0.76
SCHEMBL3491791 0.75 MAPT (0.43)
SCHEMBL3489211 0.75 CES1 (0.38)
SCHEMBL3490894 0.73 HTR6 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-11 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 (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-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME OPRD1, HTR6, HTR1D CCNE2 3909/4885CCNE1 4317/4885CDK2 4043/4885

“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.