SCHEMBL6515610

SCHEMBL6515610

CC(=O)C1C(=O)Nc2ccc(Cl)cc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
TGM2 P21980 2/20 0.50
TDO2 P48775 2/20 0.50
CES1 P23141 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
ALB P02768 1/20 0.45
KMT2A Q03164 1/20 0.45
PGR P06401 1/20 0.44
CHRM1 P11229 1/20 0.42
LRRK2 Q5S007 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 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
SCHEMBL6518555 0.88 CES1 (0.46) IDO1TGM2TDO2CES1LMNA
SCHEMBL9210797 0.78 MAPT (0.45) IDO1TGM2LMNAMEN1KMT2A
SCHEMBL9210259 0.74 CES1 (0.47) CES1TP53MDM2
SCHEMBL8303268 0.74 PGR (0.53) IDO1TGM2TDO2CES1LMNA
SCHEMBL9202056 0.72 CES1 (0.43) CES1TP53MDM2
SCHEMBL9000748 0.71 CES1 (0.44) CES1TP53MDM2
SCHEMBL9201592 0.70 TDP2 (0.50) CES1LMNAMEN1KMT2A
SCHEMBL9200031 0.70 CES1 (0.43) CES1LMNAPGRTP53MDM2
SCHEMBL9207175 0.70 CES1 (0.43) CES1TP53MDM2
SCHEMBL7485845 0.69 TGM2 (0.53) IDO1TGM2TDO2CES1LMNA

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 IDO1 4419/4885TGM2 1887/4885TDO2 4509/4885

“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.