SCHEMBL6566725

SCHEMBL6566725

COc1ccc(NC(=O)Nc2ccc(OC(c3ccc(C(F)(F)F)cc3)c3ccccc3Cl)c(C(=O)O)c2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
IGF1R P08069 1/20 0.42
LMNA P02545 2/20 0.42
IDO1 P14902 1/20 0.42
GRIK1 P39086 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCHR1 Q99705 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
SCHEMBL6564645 0.93 MEN1 (0.44) MAPTKDM4EMEN1KMT2AHTR2A
SCHEMBL6567864 0.90 KMT2A (0.45) MAPTKDM4EMEN1KMT2AHTR2A
SCHEMBL6565775 0.90 IDO1 (0.45) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL6710471 0.90 MAPT (0.46) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL6566938 0.90 MEN1 (0.47) MAPTKDM4EMEN1KMT2AHTR2A
SCHEMBL6565012 0.90 IMPDH2 (0.40) MAPTMEN1KMT2AHTR2AHTR2C
SCHEMBL6567699 0.86 MAPT (0.48) MAPTKDM4EMEN1KMT2AHTR2A
SCHEMBL6566552 0.86 HTR2A (0.46) MAPTKDM4EMEN1KMT2AHTR2A
SCHEMBL6567894 0.85 MTOR (0.48) MAPTKDM4EMEN1KMT2AHTR2A
SCHEMBL6567970 0.85 MEN1 (0.52) MAPTKDM4EMEN1KMT2ALMNA

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 3 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 claimed
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 MAPT 4743/4885KDM4E 2962/4885MEN1 4143/4885

“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.