SCHEMBL19743023

SCHEMBL19743023

Nc1c(S(=O)(=O)N2CCC(c3ccccc3)CC2)c2nccnc2n1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STAT3 P40763 1/20 0.41
RAB9A P51151 1/20 0.41
HSD11B1 P28845 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 2/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
HTT P42858 2/20 0.37
USP5 P45974 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL19742993 0.94 COMT (0.39) SLC18A3TSHRLMNASMN1; SMN2STAT3
SCHEMBL19742983 0.86 MEN1 (0.48) TSHRLMNASMN1; SMN2STAT3MEN1
SCHEMBL19743062 0.86 KMT2A (0.40) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL19743046 0.86 KMT2A (0.40) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL19743025 0.86 KMT2A (0.40) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL19743021 0.85 FPR2 (0.47) SMN1; SMN2ALDH1A1KDM4EGAAUSP5
SCHEMBL19743039 0.84 ALDH1A1 (0.40) TSHRLMNASMN1; SMN2MEN1KMT2A
SCHEMBL19743015 0.84 MEN1 (0.36) TSHRSMN1; SMN2HSD11B1MEN1KMT2A
SCHEMBL19742995 0.84 KMT2A (0.39) LMNAMEN1KMT2AALDH1A1TP53
SCHEMBL19743034 0.82 MEN1 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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 SLC18A3 1731/4885TSHR 1550/4885LMNA 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.