SCHEMBL4510256

SCHEMBL4510256

CC(C)(C)OC(=O)NNC(=O)c1cc(F)c(N2CCC(C(C)(C)NC(=O)OC(C)(C)C)C2)c(Cl)c1NC1CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.33
KAT8 Q9H7Z6 3/20 0.32
SCN9A Q15858 1/20 0.32
DRD2 P14416 3/20 0.31
DRD3 P35462 2/20 0.31
KAT6A Q92794 1/20 0.30
KAT5 Q92993 1/20 0.30
KDM4D Q6B0I6 1/20 0.30

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
SCHEMBL4510245 1.00 P2RX3 (0.33) P2RX3KAT8SCN9ADRD2DRD3
SCHEMBL4514161 0.87 KDM4D (0.39) KAT8DRD2DRD3KDM4D
SCHEMBL4519821 0.86 DRD2 (0.35) KAT8DRD2DRD3KAT6AKAT5
SCHEMBL4506830 0.84 ACACB (0.41) KAT8DRD2
SCHEMBL4516315 0.84 BTK (0.40) KAT8KDM4D
SCHEMBL4506570 0.84 KAT6A (0.37) KAT8KAT6AKDM4D
SCHEMBL4506564 0.84 KAT6A (0.37) KAT8KAT6AKDM4D
SCHEMBL4506827 0.83 P2RX3 (0.34) P2RX3KAT8DRD2DRD3KDM4D
SCHEMBL4515547 0.83 KAT8 (0.38) KAT8DRD2DRD3KAT6AKAT5
SCHEMBL4715414 0.82 KDM4D (0.38) KAT8DRD2DRD3KAT6AKAT5

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 5 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

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 P2RX3 1560/4885KAT8 74/4885SCN9A 928/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS P2RX3 1549/4885KAT8 79/4885SCN9A 874/4885

“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.