SCHEMBL6564652

SCHEMBL6564652

COC(=O)c1cc(NC(=O)NCCc2ccncc2)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.52
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 2/20 0.51
PRMT3 O60678 1/20 0.49
KDM4E B2RXH2 1/20 0.47
EPHX1 P07099 1/20 0.47
NAMPT P43490 2/20 0.46
POLB P06746 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
FPR2 P25090 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PDE4A P27815 1/20 0.43
ESRRA P11474 1/20 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
SCHEMBL6566680 0.93 CASR (0.56) CASRROCK2ROCK1PRMT3EPHX1
SCHEMBL6566529 0.90 ALDH1A1 (0.56) CASRROCK2ROCK1NAMPTALDH1A1
SCHEMBL6566483 0.90 L3MBTL1 (0.51) CASRROCK2ROCK1PRMT3KDM4E
SCHEMBL6566611 0.87 CASR (0.54) CASRROCK2ROCK1KDM4EEPHX1
SCHEMBL6564606 0.87 CNR1 (0.58) CASRPOLBALDH1A1MEN1KMT2A
SCHEMBL6566980 0.86 KMT2A (0.52) CASRPOLBALDH1A1MEN1RAB9A
SCHEMBL6566515 0.86 NAMPT (0.52) ROCK2ROCK1PRMT3KDM4EEPHX1
SCHEMBL6566675 0.84 CASR (0.57) CASRKDM4EPOLBALDH1A1MEN1
SCHEMBL6565899 0.84 CASR (0.72) CASRMEN1KMT2ASMN1; SMN2ESRRA
SCHEMBL6567665 0.83 CASR (0.56) CASREPHX1ALDH1A1MEN1KMT2A

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 CASR 1621/4885ROCK2 4403/4885ROCK1 3949/4885

“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.