SCHEMBL19742996

SCHEMBL19742996

O=C1c2ccccc2C(=O)N1c1c(S(=O)(=O)c2ccc3c(c2)OCCO3)c2nccnc2n1C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
PKM P14618 5/20 0.36
PKLR P30613 5/20 0.36
SPR P35270 1/20 0.36
RAB9A P51151 1/20 0.35
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 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
SCHEMBL19754833 0.85 KMT2A (0.40) KDM4EPKMRAB9AMAPTMAPK1
SCHEMBL19743029 0.83 HTR6 (0.40) KDM4EMAPTALDH1A1MEN1GAA
SCHEMBL19742969 0.82 ALDH1A1 (0.41) KDM4EPKMPKLRSPRRAB9A
SCHEMBL19743049 0.81 ALDH1A1 (0.36) KDM4EMAPTMAPK1CYP19A1ALDH1A1
SCHEMBL17379164 0.81 FFAR2 (0.39) KDM4EMAPTALDH1A1CYP2C19MEN1
SCHEMBL19743033 0.81 HTR6 (0.37) KDM4ETNFLITAFMAPTALDH1A1
SCHEMBL19743075 0.81 TP53 (0.36) TNFLITAFMAPK1LMNAGAA
SCHEMBL17378952 0.79 ALDH1A1 (0.37) KDM4EPKMMAPTALDH1A1CYP2C9
SCHEMBL17378948 0.79 ALDH1A1 (0.37) KDM4EPKMTNFLITAFMAPT
SCHEMBL19742992 0.79 FFAR2 (0.41) KDM4ERAB9AMAPTALDH1A1CYP2C9

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 KDM4E 556/4885PKM 3718/4885PKLR 2407/4885

“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.