SCHEMBL4515470

SCHEMBL4515470

CC(C)(C)OC(=O)C(N)C1CCCN(c2cc(NC3CC3)c(C(=O)N(N)C(=O)OC(C)(C)C)cc2F)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
USP30 Q70CQ3 1/20 0.32
MAPT P10636 1/20 0.31
ACACB O00763 2/20 0.31
DHODH Q02127 2/20 0.31
DPP4 P27487 1/20 0.31
ROCK2 O75116 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
SCHEMBL7552767 0.96 ALDH1A1 (0.34) ALDH1A1HTTMAPTACACBDHODH
SCHEMBL7559233 0.88 TSHR (0.40) ALDH1A1HTTTSHRUSP30MAPT
SCHEMBL4526756 0.85 F10 (0.34) ALDH1A1HTTTSHRUSP30MAPT
SCHEMBL4515472 0.83 IRAK1 (0.38) ACACB
SCHEMBL7511353 0.82 AAK1 (0.36) ALDH1A1HTTUSP30ROCK2
SCHEMBL4517066 0.81 PDE6D (0.34) ALDH1A1HTTACACB
SCHEMBL7513387 0.80 PIM1 (0.39) USP30
SCHEMBL7512228 0.79 KDM4D (0.33) ALDH1A1HTTUSP30ROCK2
SCHEMBL7513215 0.79 ACACB (0.40) ACACB
SCHEMBL4501896 0.78 ROCK2 (0.44) ALDH1A1HTTMAPTDPP4ROCK2

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 1527/4885TSHR 1500/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ALDH1A1 2203/4885HTT 1497/4885TSHR 1599/4885

“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.