SCHEMBL20932944

SCHEMBL20932944

COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.77
HDAC1 Q13547 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
NLRP3 Q96P20 3/20 0.69

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
SCHEMBL11358119 0.90 DNMT3A (0.72) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL8261934 0.88 DNMT3A (0.84) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1154596 0.87 DNMT3A (0.68) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11358623 0.87 DNMT3A (0.82) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL4654636 0.87 DNMT3A (0.82) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1144242 0.87 DNMT3A (1.00) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL18029599 0.87 DNMT3A (0.82) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL29808416 0.87 DNMT3A (1.00) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11365033 0.86 DNMT3A (0.67) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL21586535 0.86 DNMT3A (0.80) DNMT3AHDAC1HDAC6NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130731-B2 Sulfonylureas and related compounds and use of same THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2021-09-28 US disclosed
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 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 (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-11130731-B2 Sulfonylureas and related compounds and use of same NLRP3, PYCARD, IAPP DNMT3A 4361/4885HDAC1 2157/4885HDAC6 1704/4885
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 DNMT3A 4640/4885HDAC1 421/4885HDAC6 602/4885

“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.