SCHEMBL6564533

SCHEMBL6564533

COC(=O)c1cc(N)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.48
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
CFTR P13569 1/20 0.44
MAPT P10636 5/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALOX15 P16050 2/20 0.40
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 4/20 0.39
TSHR P16473 3/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 1/20 0.39
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL6564586 0.93 SLC6A4 (0.42) GAAALDH1A1HSD17B10CFTRMAPT
SCHEMBL6565805 0.93 ABL1 (0.44) GAAALDH1A1HSD17B10CFTRMAPT
SCHEMBL6565855 0.91 ABL1 (0.42) GAAALDH1A1HSD17B10CFTRMAPT
SCHEMBL6564639 0.89 CFTR (0.47) GAACFTRPPARA
SCHEMBL6564770 0.89 GAA (0.39) GAAALDH1A1HSD17B10CFTRMAPT
SCHEMBL6564515 0.89 IDO1 (0.46) GAAALDH1A1HSD17B10HPGDKMT2A
SCHEMBL6565999 0.88 IDO1 (0.43) GAAALDH1A1HSD17B10CFTRMAPT
SCHEMBL6566564 0.88 GAA (0.40) GAAALDH1A1HSD17B10CFTRMAPT
SCHEMBL6565892 0.88 IDO1 (0.44) GAAALDH1A1HSD17B10CFTRHPGD
SCHEMBL6566893 0.88 IDO1 (0.48) GAAALDH1A1CFTRMAPTHPGD

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 GAA 3305/4885ALDH1A1 907/4885HSD17B10 1374/4885

“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.