SCHEMBL6282771

SCHEMBL6282771

CSc1cc(C)nc([S+](C)[O-])c1NC(=O)CBr

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
SOAT1 P35610 6/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4486342 0.81 SOAT1 (0.46) CYP2C9CYP2C19CYP1A2SOAT1MAPT
SCHEMBL13755905 0.76 SOAT1 (0.35) CYP2C9CYP2C19CYP1A2SOAT1MAPT
SCHEMBL4985295 0.68 SOAT1 (0.50) CYP2C9CYP2C19CYP1A2SOAT1GAA
SCHEMBL4492754 0.68 SOAT1 (0.47) CYP2C9CYP2C19CYP1A2SOAT1MAPT
SCHEMBL4985802 0.68 RXFP1 (0.40) CYP1A2MAPTMEN1KMT2AALDH1A1
SCHEMBL6278875 0.67 SOAT1 (0.38) CYP2C9CYP2C19CYP1A2SOAT1MAPT
SCHEMBL14565845 0.67 SOAT1 (0.46) CYP2C9CYP2C19CYP1A2SOAT1MAPT
SCHEMBL9000543 0.67 ALDH1A1 (0.49) SOAT1MAPTALDH1A1LMNAGAA
SCHEMBL4990313 0.67 SOAT1 (0.46) SOAT1KMT2AGAARXFP1MAPK1
SCHEMBL4984257 0.67 SOAT1 (0.46) SOAT1KMT2AGAARXFP1MAPK1

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-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 CYP2C9 1170/4885CYP2C19 2233/4885CYP1A2 872/4885

“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.