SCHEMBL19743029

SCHEMBL19743029

O=C1c2ccccc2C(=O)N1c1c(S(=O)(=O)c2cccc(F)c2)c2nccnc2n1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.40
FFAR2 O15552 4/20 0.40
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
DNMT1 P26358 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
PLEC Q15149 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
NFE2L2 Q16236 1/20 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
SCHEMBL19743033 0.87 HTR6 (0.37) HTR6FFAR2KDM4EMEN1ALDH1A1
SCHEMBL19754833 0.85 KMT2A (0.40) FFAR2KDM4EMEN1ALDH1A1GAA
SCHEMBL19743036 0.84 HTR6 (0.40) HTR6FFAR2KDM4EMEN1ALDH1A1
SCHEMBL19742996 0.83 KDM4E (0.37) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL19743049 0.82 ALDH1A1 (0.36) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL17379164 0.82 FFAR2 (0.39) FFAR2KDM4EMEN1ALDH1A1GAA
SCHEMBL19743068 0.82 FFAR2 (0.48) HTR6FFAR2KDM4EMEN1ALDH1A1
SCHEMBL17378948 0.81 ALDH1A1 (0.37) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL17378952 0.81 ALDH1A1 (0.37) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL19742992 0.81 FFAR2 (0.41) FFAR2KDM4EMEN1ALDH1A1GAA

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-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 HTR6 28/4885FFAR2 380/4885KDM4E 556/4885

“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.