SCHEMBL6566566

SCHEMBL6566566

COC(=O)c1cc(N)ccc1OC(c1ccc(Cl)cc1)c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
GAA P10253 2/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
OPRL1 P41146 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6566697 0.92 GAA (0.43) GAAIDO1TDO2SMN1; SMN2NPC1
SCHEMBL6564439 0.90 ALDH1A1 (0.43) ABL1PTGER4PTGER2GAASMN1; SMN2
SCHEMBL6566689 0.90 ALDH1A1 (0.40) ABL1PTGER4PTGER2GAASMN1; SMN2
SCHEMBL6565805 0.89 ABL1 (0.44) ABL1GAAIDO1TDO2ALDH1A1
SCHEMBL6566526 0.88 CFTR (0.43) GAAIDO1TDO2OPRL1KDM4E
SCHEMBL6565855 0.85 ABL1 (0.42) ABL1GAAALDH1A1HPGDSLC6A4
SCHEMBL6564586 0.85 SLC6A4 (0.42) GAASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL6566865 0.84 GAA (0.46) GAAIDO1TDO2SMN1; SMN2NPC1
SCHEMBL6564684 0.84 MEN1 (0.41) SMN1; SMN2NPC1ALDH1A1HPGDKDM4E
SCHEMBL6564770 0.84 GAA (0.39) ABL1GAAALDH1A1HPGDSLC6A4

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 ABL1 2094/4885PTGER4 426/4885PTGER2 1044/4885

“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.