SCHEMBL19742971

SCHEMBL19742971

Nc1c(S(=O)(=O)N2CCCOCC2)c2nccnc2n1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.36
GAA P10253 4/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL19743057 0.97 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1LMNAGAAKDM4E
SCHEMBL19743062 0.90 KMT2A (0.40) LMNAGAAKDM4EMEN1ALDH1A1
SCHEMBL19743025 0.90 KMT2A (0.40) LMNAGAAKDM4EMEN1ALDH1A1
SCHEMBL19743046 0.90 KMT2A (0.40) LMNAGAAKDM4EMEN1ALDH1A1
SCHEMBL19742995 0.84 KMT2A (0.39) LMNAMEN1ALDH1A1KMT2AADORA3
SCHEMBL19742988 0.84 APOBEC3A (0.39) GAAKDM4ETSHRMEN1ALDH1A1
SCHEMBL19743060 0.84 ADORA3 (0.34) SMN1; SMN2LMNAGAAKDM4EMEN1
SCHEMBL19743015 0.84 MEN1 (0.36) SMN1; SMN2GAAKDM4EPOLBTSHR
SCHEMBL19743034 0.82 MEN1 (0.35) SMN1; SMN2GAAKDM4EPOLBMEN1
SCHEMBL19742985 0.82 MAPK1 (0.34) SMN1; SMN2GAAKDM4EMEN1ALDH1A1

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 SMN1; SMN2 4133/4885L3MBTL1 2300/4885LMNA 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.