SCHEMBL6566645

SCHEMBL6566645

O=C(Nc1ccccc1)Nc1ccc(OC(c2ccccc2)c2ccccc2)c(C(=O)NCCCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
EPHX1 P07099 1/20 0.53
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CNR1 P21554 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6568066 0.94 EPHX1 (0.49) KDM4EEPHX1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6564631 0.89 EPHX1 (0.47) EPHX1ALDH1A1HTTHPGDTSHR
SCHEMBL6566515 0.87 NAMPT (0.52) KDM4EEPHX1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6567876 0.86 RAF1 (0.44) KMT2ASMN1; SMN2HTTMEN1LMNA
SCHEMBL6567969 0.86 CASR (0.53) KMT2AMEN1NPSR1EPHX2MCHR1
SCHEMBL6566738 0.86 MCHR1 (0.45) KMT2ASMN1; SMN2MEN1LMNAMCHR1
SCHEMBL6564619 0.86 MCHR1 (0.49) ROCK1MCHR1
SCHEMBL6565928 0.85 MCHR1 (0.46) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL6565942 0.85 MCHR1 (0.54) MCHR1
SCHEMBL6566565 0.85 PAX8 (0.55) KDM4EKMT2AALDH1A1SMN1; SMN2HTT

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 KDM4E 2962/4885EPHX1 2037/4885KMT2A 3137/4885

“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.