SCHEMBL19743039

SCHEMBL19743039

Nc1c(S(=O)(=O)N2Cc3ccccc3C2)c2nccnc2n1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
GAA P10253 5/20 0.40
MAPK1 P28482 4/20 0.38
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
DNMT1 P26358 1/20 0.34
BLM P54132 1/20 0.34
PLEC Q15149 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CASP1 P29466 3/20 0.33
DRD2 P14416 2/20 0.33
HTR6 P50406 2/20 0.33

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
SCHEMBL19743013 0.93 KMT2A (0.43) ALDH1A1KDM4EGAAMAPK1MEN1
SCHEMBL19743025 0.86 KMT2A (0.40) ALDH1A1KDM4EGAAMAPK1ADORA3
SCHEMBL19743062 0.86 KMT2A (0.40) ALDH1A1KDM4EGAAMAPK1ADORA3
SCHEMBL19743046 0.86 KMT2A (0.40) ALDH1A1KDM4EGAAMAPK1ADORA3
SCHEMBL19742988 0.84 APOBEC3A (0.39) ALDH1A1KDM4EGAAMAPK1ADORA3
SCHEMBL19743023 0.84 SLC18A3 (0.41) ALDH1A1KDM4EGAAMAPK1MEN1
SCHEMBL19742993 0.82 COMT (0.39) ALDH1A1KDM4EGAAMAPK1MEN1
SCHEMBL19742983 0.82 MEN1 (0.48) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL19743006 0.82 KDM4E (0.38) ALDH1A1KDM4EGAAMAPK1MEN1
SCHEMBL19742995 0.82 KMT2A (0.39) ALDH1A1MAPK1ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 US claimed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 US disclosed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 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-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE GPR119, IDO1, IDO2 ALDH1A1 1063/4885KDM4E 556/4885GAA 3284/4885

“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.