SCHEMBL19742983

SCHEMBL19742983

Nc1c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c2nccnc2n1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 5/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL19743023 0.86 SLC18A3 (0.41) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL19743034 0.85 MEN1 (0.35) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL19743025 0.84 KMT2A (0.40) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL19743046 0.84 KMT2A (0.40) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL19743062 0.84 KMT2A (0.40) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL19743021 0.83 FPR2 (0.47) ALDH1A1GAASMN1; SMN2
SCHEMBL19742993 0.82 COMT (0.39) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL19743039 0.82 ALDH1A1 (0.40) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL19742995 0.82 KMT2A (0.39) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL19743015 0.82 MEN1 (0.36) MEN1KMT2ATSHRALDH1A1POLB

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 MEN1 2891/4885KMT2A 1992/4885LMNA 3742/4885

“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.