SCHEMBL6567876

SCHEMBL6567876

O=C(Nc1ccccc1)Nc1ccc(OC(c2ccccc2)c2ccccc2)c(C(=O)NCCNc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.44
MCHR1 Q99705 4/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 6/20 0.41
CASR P41180 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ESRRA P11474 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6567969 0.89 CASR (0.53) MCHR1MEN1KMT2ACASRNPSR1
SCHEMBL6565928 0.88 MCHR1 (0.46) MCHR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6568066 0.88 EPHX1 (0.49) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6564631 0.87 EPHX1 (0.47) MCHR1HTTESRRA
SCHEMBL6567939 0.86 MCHR1 (0.53) MCHR1
SCHEMBL6566645 0.86 KDM4E (0.53) MCHR1MEN1KMT2AMAPTLMNA
SCHEMBL6565789 0.85 CASR (0.56) MEN1KMT2ALMNASMN1; SMN2HIF1A
SCHEMBL6566738 0.85 MCHR1 (0.45) MCHR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6564619 0.85 MCHR1 (0.49) MCHR1
SCHEMBL6568064 0.85 MCHR1 (0.46) MCHR1ESRRA

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 RAF1 1601/4885MCHR1 382/4885MEN1 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.