SCHEMBL4065269

SCHEMBL4065269

COc1ccc2nccc(C3=CCN(C(=O)CNC(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.40
CDK9 P50750 14/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 1/20 0.39
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL4251137 0.86 CNR1 (0.50) CCNT1CDK9CNR1
SCHEMBL4065093 0.83 CCNT1 (0.41) CCNT1CDK9
Hydrochloric Acid SCHEMBL4076052 0.83 CCNT1 (0.41) CCNT1CDK9
Hydrochloric Acid SCHEMBL4075207 0.74 KCNH2 (0.39) CCNT1CDK9
SCHEMBL4064016 0.74 KCNH2 (0.39) CCNT1CDK9
SCHEMBL2925641 0.72 GRM2 (0.44) TDP1
SCHEMBL2925960 0.71 AKT1 (0.42) TDP1
SCHEMBL4069637 0.71 SIRT2 (0.47) TDP1
SCHEMBL16135142 0.71 PDK4 (0.58)
SCHEMBL1223784 0.70 CYP8B1 (0.43)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG CCNT1 2174/4885CDK9 3122/4885FNTA 1075/4885

“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.