SCHEMBL6564586

SCHEMBL6564586

COC(=O)c1cc(N)ccc1OC(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
GAA P10253 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.39
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6566865 0.95 GAA (0.46) SLC6A4SLC6A3GAATDP1ALDH1A1
SCHEMBL6564533 0.93 GAA (0.48) SLC6A4SLC6A3GAAALDH1A1HPGD
SCHEMBL6564770 0.90 GAA (0.39) SLC6A4GAATDP1ALDH1A1HPGD
SCHEMBL6564439 0.89 ALDH1A1 (0.43) SLC6A4SLC6A3GAAALDH1A1HPGD
SCHEMBL6566689 0.89 ALDH1A1 (0.40) SLC6A4SLC6A3GAAALDH1A1HPGD
SCHEMBL6567992 0.89 SLC6A4 (0.39) SLC6A4SLC6A3GAATDP1ALDH1A1
SCHEMBL6565805 0.88 ABL1 (0.44) SLC6A4SLC6A3GAATDP1ALDH1A1
SCHEMBL6714085 0.88 ALDH1A1 (0.40) GAATDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6564639 0.87 CFTR (0.47) GAACFTRHTT
SCHEMBL6564379 0.87 CFTR (0.47) GAATDP1ALDH1A1HPGDSMN1; 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-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 SLC6A4 1151/4885SLC6A3 1171/4885GAA 3305/4885

“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.