SCHEMBL5100609

SCHEMBL5100609

O=C(CCCCl)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.67
KCNH2 Q12809 2/20 0.55
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50

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
SCHEMBL5101130 0.80 BDKRB1 (1.00) BDKRB1
SCHEMBL1970717 0.79 BDKRB1 (0.71) BDKRB1KDM4EMEN1KMT2A
SCHEMBL31305 0.78 BDKRB1 (0.72) BDKRB1KDM4EMEN1KMT2A
SCHEMBL2534648 0.77 BDKRB1 (0.73) BDKRB1KDM4EMEN1KMT2A
SCHEMBL3041146 0.76 BDKRB1 (0.70) BDKRB1KDM4EMEN1KMT2A
SCHEMBL16088832 0.76 MEN1 (0.55) MEN1KMT2A
SCHEMBL5095180 0.75 BDKRB1 (0.68) BDKRB1KDM4EMEN1KMT2A
SCHEMBL27995 0.75 ALDH1A1 (0.74) BDKRB1KMT2A
SCHEMBL6404247 0.72 HDAC4 (0.66) KCNH2KDM4E
SCHEMBL7791845 0.72 LMNA (0.60) KDM4EMEN1KMT2A

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-7393873-B2 Arylsulfonamide derivatives MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-20060142612-A1 Arylsulfonamide derivatives MERCK SHARP & DOHME CORP. 2006-06-29 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-20060142612-A1 Arylsulfonamide derivatives BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885KCNH2 402/4885KDM4E 4035/4885

“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.