SCHEMBL6564439

SCHEMBL6564439

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ABL1 P00519 1/20 0.43
GAA P10253 3/20 0.41
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPAS1 Q99814 1/20 0.37
PYGL P06737 1/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35

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 0.94 GAA (0.46) ALDH1A1HPGDSMN1; SMN2GAAKDM4E
SCHEMBL6566689 0.90 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2ABL1GAA
SCHEMBL6566566 0.90 ABL1 (0.39) ALDH1A1HPGDSMN1; SMN2ABL1GAA
SCHEMBL6565805 0.89 ABL1 (0.44) ALDH1A1HPGDABL1GAAPPARG
SCHEMBL6564586 0.89 SLC6A4 (0.42) ALDH1A1HPGDSMN1; SMN2GAAKDM4E
SCHEMBL6566067 0.88 CFTR (0.46) ABL1GAAPPARG
SCHEMBL6564379 0.86 CFTR (0.47) ALDH1A1HPGDSMN1; SMN2GAAPPARA
SCHEMBL6567822 0.86 ABL1 (0.39) ALDH1A1HPGDSMN1; SMN2ABL1GAA
SCHEMBL6567926 0.86 HPGD (0.42) ALDH1A1HPGDSMN1; SMN2GAAKDM4E
SCHEMBL6567992 0.83 SLC6A4 (0.39) ALDH1A1HPGDSMN1; SMN2GAAKDM4E

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 ALDH1A1 907/4885HPGD 557/4885SMN1; SMN2 2126/4885

“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.