SCHEMBL6566680

SCHEMBL6566680

COC(=O)c1cc(NC(=O)NCCc2ccccc2)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.56
EPHX1 P07099 1/20 0.54
POLB P06746 2/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
FPR2 P25090 1/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CNR1 P21554 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
ESRRA P11474 1/20 0.47
PRMT3 O60678 1/20 0.46
LMNA P02545 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45

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
SCHEMBL6566611 0.94 CASR (0.54) CASREPHX1POLBKMT2AMEN1
SCHEMBL6564652 0.93 CASR (0.52) CASREPHX1POLBRAB9AKMT2A
SCHEMBL6564606 0.91 CNR1 (0.58) CASRPOLBKMT2AMAPTMEN1
SCHEMBL6566483 0.91 L3MBTL1 (0.51) CASREPHX1POLBRAB9AKMT2A
SCHEMBL6566826 0.89 GAA (0.54) CASRNPC1RAB9AKMT2AMAPT
SCHEMBL6565899 0.88 CASR (0.72) CASRKMT2AMEN1SMN1; SMN2ESRRA
SCHEMBL6566675 0.88 CASR (0.57) CASRPOLBKMT2AMAPTMEN1
SCHEMBL6565789 0.88 CASR (0.56) CASRKMT2AMEN1SMN1; SMN2ESRRA
SCHEMBL6567665 0.88 CASR (0.56) CASREPHX1KMT2AMEN1SMN1; SMN2
SCHEMBL6566863 0.87 CASR (0.55) CASRPOLBKMT2AMEN1SMN1; SMN2

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 1621/4885EPHX1 2037/4885POLB 3499/4885

“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.