SCHEMBL19742978

SCHEMBL19742978

CCCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nccnc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 4/20 0.70
UBA2 Q9UBT2 4/20 0.70
KDM4E B2RXH2 13/20 0.60
ALDH1A1 P00352 10/20 0.60
GAA P10253 9/20 0.60
MAPT P10636 8/20 0.60
GLA P06280 7/20 0.60
HTT P42858 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.60
ATM Q13315 2/20 0.52
HPGD P15428 7/20 0.48
HTR6 P50406 2/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RXFP1 Q9HBX9 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
BLM P54132 2/20 0.45

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
SCHEMBL15256919 0.89 KDM4E (0.68) SAE1UBA2KDM4EALDH1A1GAA
SCHEMBL19742987 0.85 SAE1 (0.51) SAE1UBA2KDM4EALDH1A1GAA
SCHEMBL15256914 0.82 SAE1 (1.00) SAE1UBA2KDM4EALDH1A1GAA
SCHEMBL17377283 0.81 SAE1 (0.47) SAE1UBA2KDM4EALDH1A1GAA
SCHEMBL19743010 0.80 SAE1 (0.46) SAE1UBA2KDM4EALDH1A1GAA
SCHEMBL19743003 0.80 SAE1 (0.48) SAE1UBA2KDM4EALDH1A1GAA
SCHEMBL16784064 0.78 ALDH1A1 (0.75) SAE1UBA2KDM4EALDH1A1GAA
SCHEMBL19743042 0.77 KDM4E (0.46) SAE1UBA2KDM4EALDH1A1GAA
SCHEMBL6981187 0.75 KDM4E (1.00) SAE1UBA2KDM4EALDH1A1GAA
SCHEMBL16772922 0.75 KDM4E (0.55) SAE1UBA2KDM4EALDH1A1GAA

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 SAE1 2388/4885UBA2 1863/4885KDM4E 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.