SCHEMBL6566565

SCHEMBL6566565

CC(C)OCCCNC(=O)c1cc(NC(=O)Nc2ccccc2)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.55
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NAMPT P43490 1/20 0.46
MCHR1 Q99705 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL6564631 0.88 EPHX1 (0.47) HTTMCHR1BACE1BACE2ALDH1A1
SCHEMBL6565928 0.87 MCHR1 (0.46) SMN1; SMN2MEN1KMT2AMCHR1
SCHEMBL6567944 0.86 CASR (0.52) PAX8KDM4ESMN1; SMN2HTTMEN1
SCHEMBL6566738 0.85 MCHR1 (0.45) SMN1; SMN2MEN1KMT2ANAMPTMCHR1
SCHEMBL6566645 0.85 KDM4E (0.53) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL6565942 0.85 MCHR1 (0.54) MCHR1
SCHEMBL6567969 0.84 CASR (0.53) MEN1KMT2AMCHR1
SCHEMBL6567876 0.84 RAF1 (0.44) SMN1; SMN2HTTMEN1KMT2AMCHR1
SCHEMBL6564619 0.83 MCHR1 (0.49) MCHR1BACE1BACE2
SCHEMBL6568064 0.83 MCHR1 (0.46) MCHR1

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 PAX8 1831/4885KDM4E 2962/4885SMN1; 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.