SCHEMBL19743036

SCHEMBL19743036

O=C1c2ccccc2C(=O)N1c1c(S(=O)(=O)c2ccccc2F)c2nccnc2n1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.40
FFAR2 O15552 3/20 0.39
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
STAT3 P40763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK4 P11802 3/20 0.32
CCND1 P24385 3/20 0.32
CCND2 P30279 3/20 0.32
CCND3 P30281 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL19743029 0.84 HTR6 (0.40) HTR6FFAR2ALDH1A1MEN1KMT2A
SCHEMBL17378952 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL17378948 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL19754833 0.83 KMT2A (0.40) FFAR2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL19743008 0.83 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL19743059 0.82 FFAR2 (0.47) HTR6FFAR2ALDH1A1MEN1KMT2A
SCHEMBL17379164 0.80 FFAR2 (0.39) FFAR2ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL19743049 0.80 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL19742992 0.80 FFAR2 (0.41) FFAR2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL19743064 0.80 CCR9 (0.39) HTR6ALDH1A1MEN1KMT2ASMN1; SMN2

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 HTR6 28/4885FFAR2 380/4885ALDH1A1 1063/4885

“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.