SCHEMBL14577679

SCHEMBL14577679

CN(C)CCN(C)S(=O)(=O)c1ccc(-c2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 10/20 0.52
▸ ADORA1 P30542 3/20 0.50
▸ ADORA2A P29274 3/20 0.50
▸ ADORA3 P0DMS8 1/20 0.47
▸ HDAC4 P56524 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ XDH P47989 1/20 0.39

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
SCHEMBL6796628 0.76 ADORA2B (0.64) ADORA2BADORA1ADORA2AADORA3HDAC6
SCHEMBL6794235 0.72 ADORA1 (0.73) ADORA2BADORA1ADORA2AADORA3ALDH1A1
SCHEMBL23607984 0.70 ADORA2B (0.71) ADORA2BADORA2AALDH1A1HPGDKDM4E
SCHEMBL378879 0.70 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3ALDH1A1
SCHEMBL5970338 0.69 ADORA2B (0.56) ADORA2BADORA2AALDH1A1KDM4EMEN1
SCHEMBL9260246 0.65 ADORA2B (0.62) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL13445263 0.65 MAPT (0.53) HDAC4HDAC6ALOX15HSD17B10KDM4E
SCHEMBL5970527 0.64 ADORA2B (0.57) ADORA2BADORA2AALDH1A1HPGDALOX15
SCHEMBL5856927 0.64 HDAC4 (0.47) HDAC4HDAC6ALDH1A1TSHRKMT2A
SCHEMBL6034965 0.64 SIGMAR1 (0.59) HDAC4HDAC6ALDH1A1KDM4ETSHR

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-7189717-B2 Medicinal compositions promoting bowel movement EISAI CO., LTD. (JP) 2007-03-13 — — US disclosed
US-20070054876-A1 Pharmaceutical composition promoting defecation YASUDA MASAHIRO 2007-03-08 — — 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-20070054876-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885

“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.

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