SCHEMBL6510646

SCHEMBL6510646

COC(=O)c1cc(Cl)ccc1NC(=O)CC(=O)CCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 3/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CNR1 P21554 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
SCHEMBL6513057 0.85 RXFP1 (0.48) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL6529825 0.81 CNR1 (0.41) KDM4ESMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL1095126 0.78 CASP3 (0.58) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL420909 0.77 NPSR1 (0.56) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL6510154 0.76 KMT2A (0.63) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL30044907 0.76 KMT2A (0.63) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL420932 0.75 MEN1 (0.57) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL417874 0.74 RXFP1 (0.54) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL1794335 0.74 SMN1; SMN2 (0.69) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL1015370 0.74 KDM4E (0.60) KDM4EGAASMN1; SMN2KMT2AMEN1

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KDM4E 1251/4885GAA 2750/4885SMN1; SMN2 3724/4885

“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.