SCHEMBL4512788

SCHEMBL4512788

COc1c(NC2CC2)c(C(=O)O)cc(F)c1N1CCC(C(N)C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.48
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TOP1 P11387 6/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
PRKD3 O94806 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
CLK2 P49760 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4501734 0.90 KCNH2 (0.46) KCNH2GPR119
SCHEMBL4503103 0.90 KCNH2 (0.40) KCNH2GPR119
SCHEMBL13713227 0.82 TOP1 (0.41) KCNH2TOP1
SCHEMBL4501493 0.80 KCNH2 (0.44) KCNH2ALDH1A1
SCHEMBL4512791 0.80 KCNH2 (0.43) KCNH2TOP1
SCHEMBL4500325 0.79 KCNH2 (0.38) KCNH2GPR119
SCHEMBL4506827 0.79 P2RX3 (0.34) KCNH2L3MBTL1ALDH1A1GPR119
SCHEMBL13713214 0.76 DRD2 (0.43)
SCHEMBL4524720 0.75 CKS1B (0.40) TOP1
SCHEMBL7523009 0.75 KCNH2 (0.36) KCNH2TOP1POLB

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 KCNH2 8/4885KDM4E 1827/4885L3MBTL1 3671/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KCNH2 8/4885KDM4E 1700/4885L3MBTL1 3633/4885

“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.