SCHEMBL4679730

SCHEMBL4679730

CN(c1c(F)cccc1Br)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 2/20 0.34
ALDH1A1 P00352 7/20 0.34
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.33
ACLY P53396 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EED O75530 1/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL20091675 0.80 ALDH1A1 (0.43) KMT2ATDP1HTTALDH1A1RECQL
SCHEMBL26122242 0.79 CYP19A1 (0.35) KMT2ATDP1ALDH1A1RECQLSMN1; SMN2
SCHEMBL20155932 0.77 RECQL (0.41) KMT2AHTTALDH1A1RECQLLMNA
SCHEMBL20073210 0.76 POLB (0.38) TDP1RECQLLMNAPOLB
SCHEMBL24498552 0.76 ALDH1A1 (0.35) KMT2ATDP1HTTALDH1A1RECQL
SCHEMBL27540668 0.75 ALB (0.47) KMT2ATDP1HTTALDH1A1ACLY
SCHEMBL26120002 0.73 PKM (0.42) KMT2ATDP1HTTALDH1A1SMN1; SMN2
SCHEMBL26119628 0.73 KMT2A (0.42) KMT2ATDP1HTTALDH1A1SMN1; SMN2
SCHEMBL23042975 0.71 ALDH1A1 (0.40) KMT2ATDP1HTTALDH1A1SMN1; SMN2
SCHEMBL30783964 0.69 PKM (0.42) KMT2ATDP1HTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654232-A4 SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES MERCK & CO INC (US) 2008-11-12 EP disclosed
US-7332499-B2 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides MERCK & CO., INC. (US) 2008-02-19 US disclosed
US-20060247229-A1 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides MERCK SHARP & DOHME CORP. 2006-11-02 US disclosed
EP-1654232-A1 SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2006-05-10 EP disclosed
WO-2005016886-A1 SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES MERCK & CO., INC. (US) 2005-02-24 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-20060247229-A1 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides BDKRB1, BDKRB2, CNR2 KMT2A 2522/4885TDP1 4450/4885HTT 3172/4885

“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.