SCHEMBL4518333

SCHEMBL4518333

CC(C)(C)OC(=O)NCC1CCN(c2cc3c(cc2F)c(=O)n(NC(=O)OC(C)(C)C)c(=O)n3C2CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.40
ACACA Q13085 6/20 0.40
DRD2 P14416 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
EEF2K O00418 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
TOP1 P11387 1/20 0.36
F10 P00742 1/20 0.36
DDR1 Q08345 1/20 0.35

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
SCHEMBL4500751 0.87 ACACB (0.38) ACACBACACAEEF2K
SCHEMBL4506720 0.86 KCNH2 (0.39) ACACBACACADRD2SUV39H2DDR1
SCHEMBL4500840 0.86 KCNH2 (0.45) TOP1
SCHEMBL6802024 0.84 ACACB (0.43) ACACBACACADRD2CKS1BSKP1
SCHEMBL17165913 0.83 CYP1A2 (0.43) ACACBACACADRD2CKS1BSKP1
SCHEMBL4505894 0.82 F10 (0.37) ACACBACACADRD2EEF2KSUV39H2
SCHEMBL4518331 0.82 KCNH2 (0.36)
SCHEMBL4511744 0.81 SUV39H2 (0.40) ACACBACACADRD2CKS1BSKP1
SCHEMBL4504491 0.79 KCNH2 (0.38) ACACBACACASUV39H2F10
SCHEMBL4505950 0.79 KCNH2 (0.38) ACACBACACASUV39H2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 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 (2 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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 ACACB 4673/4885ACACA 4732/4885DRD2 81/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ACACB 4662/4885ACACA 4715/4885DRD2 82/4885

“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.