SCHEMBL6006456

SCHEMBL6006456

CC(C)C1=NC(NC(=O)OCc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.52
SCN9A Q15858 1/20 0.48
BRD4 O60885 9/20 0.47
BRD2 P25440 9/20 0.47
BRD3 Q15059 9/20 0.47
CCKBR P32239 2/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL6300291 0.88 SCN9A (0.61) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL2525194 0.86 SENP1 (0.55) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL9251712 0.85 SENP1 (0.58) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL9251716 0.85 SENP1 (0.58) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL6003842 0.81 BRD4 (0.68) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL6005691 0.80 SENP1 (0.63) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL7548097 0.79 SENP1 (0.51) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL7548101 0.79 SENP1 (0.51) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL6006704 0.79 SENP1 (0.59) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL6005238 0.78 SENP1 (0.56) SENP1SCN9ABRD4BRD2BRD3

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-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP SENP1 528/4885SCN9A 305/4885BRD4 596/4885

“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.