SCHEMBL6567894

SCHEMBL6567894

COc1ccc(NC(=O)Nc2ccc(OC(c3ccc(C(F)(F)F)cc3)c3cccc(F)c3)c(C(=O)O)c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
GRIK1 P39086 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MCHR1 Q99705 1/20 0.41
BRAF P15056 3/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6566783 0.93 MTOR (0.48) MTORHTR2AHTR2CSMN1; SMN2LMNA
SCHEMBL6566938 0.93 MEN1 (0.47) HTR2AHTR2CSMN1; SMN2LMNAMAPK1
SCHEMBL6566552 0.92 HTR2A (0.46) MTORHTR2AHTR2CGRIK1SMN1; SMN2
SCHEMBL6567699 0.90 MAPT (0.48) HTR2AHTR2CGRIK1SMN1; SMN2LMNA
SCHEMBL6567816 0.90 MTOR (0.45) MTORHTR2AHTR2CSMN1; SMN2LMNA
SCHEMBL6565985 0.89 MAPT (0.46) HTR2AHTR2CGRIK1SMN1; SMN2LMNA
SCHEMBL6564463 0.86 MEN1 (0.47) HTR2AHTR2CSMN1; SMN2LMNAMAPK1
SCHEMBL6711898 0.86 KMT2A (0.49) HTR2AHTR2CSMN1; SMN2LMNAMAPK1
SCHEMBL6567864 0.86 KMT2A (0.45) HTR2AHTR2CSMN1; SMN2LMNAMAPK1
SCHEMBL6566725 0.85 MAPT (0.43) HTR2AHTR2CGRIK1SMN1; SMN2LMNA

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 MTOR 4361/4885HTR2A 263/4885HTR2C 114/4885

“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.