SCHEMBL6566546

SCHEMBL6566546

CCN(Cc1ccncc1)C(=O)Nc1ccc(OC(c2ccccc2)c2ccccc2)c(C(=O)OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.48
CASR P41180 1/20 0.46
LMNA P02545 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
BLM P54132 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.43

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
SCHEMBL6567020 0.85 KDM4E (0.51) CASRMEN1KMT2ATSHRMAPT
SCHEMBL6568097 0.85 CASR (0.54) CASRLMNACYP2C9TSHRCYP3A4
SCHEMBL6567065 0.84 CASR (0.43) CASRLMNAMEN1KMT2AMAPT
SCHEMBL6566617 0.84 MAPK1 (0.47) PDE4ALMNACYP2C9CYP2C19MEN1
SCHEMBL6568022 0.83 CASR (0.45) CASRLMNAMEN1KMT2AMAPT
SCHEMBL6566982 0.82 MTOR (0.47) CASRLMNAMEN1KMT2AALDH1A1
SCHEMBL6566703 0.81 MEN1 (0.50) CASRLMNAMEN1KMT2ATSHR
SCHEMBL6564496 0.81 CASR (0.50) CASRLMNATSHRHSD17B10ALDH1A1
SCHEMBL6566529 0.81 ALDH1A1 (0.56) CASRALDH1A1ROCK1ROCK2HTT
SCHEMBL6566980 0.80 KMT2A (0.52) CASRLMNAMEN1KMT2AMAPT

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 PDE4A 1983/4885CASR 1621/4885LMNA 4043/4885

“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.