SCHEMBL19743064

SCHEMBL19743064

O=C1c2ccccc2C(=O)N1c1c(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2nccnc2n1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.39
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
DNMT1 P26358 1/20 0.35
BLM P54132 1/20 0.35
PLEC Q15149 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.35
HTR6 P50406 1/20 0.34
TNF P01375 1/20 0.34
LITAF Q99732 1/20 0.34
EPHX2 P34913 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
SCHEMBL17379164 0.89 FFAR2 (0.39) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL19742992 0.88 FFAR2 (0.41) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL19754833 0.86 KMT2A (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL19743049 0.83 ALDH1A1 (0.36) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL17377225 0.82 KDM4E (0.43) MMP2MMP9MEN1KMT2AKDM4E
SCHEMBL19743029 0.81 HTR6 (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL19743054 0.81 FFAR2 (0.41) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL19743033 0.81 HTR6 (0.37) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL19743036 0.80 HTR6 (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL17378952 0.79 ALDH1A1 (0.37) MEN1KMT2AKDM4EALDH1A1GAA

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 2 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 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 CCR9 855/4885MMP2 1639/4885MMP9 2269/4885

“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.