SCHEMBL4515836

SCHEMBL4515836

CC(C)(C)OC(=O)NNC(=O)c1cc(F)c(N2CCC(C)(C(N)C(=O)OC(C)(C)C)C2)cc1NC1CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
IRAK4 Q9NWZ3 5/20 0.32
ROCK2 O75116 1/20 0.32
MAPT P10636 1/20 0.31
SLC6A9 P48067 1/20 0.30
SLC6A5 Q9Y345 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
SCHEMBL27566048 0.94 ALDH1A1 (0.35) ALDH1A1HTTIRAK4ROCK2MAPT
SCHEMBL4515838 0.84 IRAK4 (0.33) ALDH1A1HTTIRAK4ROCK2MAPT
SCHEMBL4505737 0.82 TSHR (0.41) ALDH1A1HTTROCK2MAPTSLC6A9
SCHEMBL4526756 0.81 F10 (0.34) ALDH1A1HTTMAPTSLC6A9SLC6A5
SCHEMBL4715506 0.78
SCHEMBL4526111 0.77 USP30 (0.33) ALDH1A1HTTIRAK4
SCHEMBL4526115 0.77 USP30 (0.33) ALDH1A1HTTIRAK4
SCHEMBL4519973 0.76 USP30 (0.36) ALDH1A1HTTIRAK4ROCK2
SCHEMBL4501900 0.76 ROCK2 (0.43) IRAK4ROCK2
SCHEMBL4508683 0.74 ACACB (0.42) IRAK4

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 ALDH1A1 2259/4885HTT 1527/4885IRAK4 2800/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ALDH1A1 2203/4885HTT 1497/4885IRAK4 2776/4885

“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.