Sugi Predict

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SCHEMBL19742993

SCHEMBL19742993

Nc1c(S(=O)(=O)N2CCC(c3ccccc3)C2)c2nccnc2n1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ SLC18A3 Q16572 1/20 0.38
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD11B1 P28845 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PDE9A O76083 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ DNMT1 P26358 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
SCHEMBL19743023 0.94 SLC18A3 (0.41) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL19742981 0.83 KMT2A (0.37) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL19742983 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL19743039 0.82 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL19743046 0.82 KMT2A (0.40) COMTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19743062 0.82 KMT2A (0.40) COMTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19743025 0.82 KMT2A (0.40) COMTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19743021 0.82 FPR2 (0.47) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL19743006 0.80 KDM4E (0.38) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL19742995 0.80 KMT2A (0.39) MEN1KMT2AALDH1A1LMNAMAPK1

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 COMT 483/4885MEN1 2891/4885KMT2A 1992/4885

“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.