SCHEMBL4514633

SCHEMBL4514633

CC(C)(C)OC(=O)NCC1CCN(c2c(Cl)cc(C(=O)NNC(=O)OC(C)(C)C)c(NC3CC3)c2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 3/20 0.42
DRD2 P14416 3/20 0.42
ACACB O00763 10/20 0.41
ACACA Q13085 9/20 0.41
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
DRD3 P35462 1/20 0.36

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
SCHEMBL4506830 0.92 ACACB (0.41) SUV39H2DRD2ACACBACACACKS1B
SCHEMBL4525305 0.87 PRMT5 (0.39) SUV39H2DRD2ACACBACACA
SCHEMBL4500327 0.85 ACACB (0.42) SUV39H2DRD2ACACBACACACKS1B
SCHEMBL4501034 0.84 DRD2 (0.42) SUV39H2DRD2ACACBACACACKS1B
SCHEMBL4503107 0.83 ACACB (0.40) SUV39H2DRD2ACACBACACACKS1B
SCHEMBL4514632 0.82 DRD2 (0.32) SUV39H2DRD2DRD3
SCHEMBL7514643 0.78 ACACB (0.41) SUV39H2DRD2ACACBACACACKS1B
SCHEMBL4514161 0.78 KDM4D (0.39) SUV39H2DRD2DRD3
SCHEMBL4502749 0.78 SUV39H2 (0.40) SUV39H2DRD2
SCHEMBL4510253 0.78 GPR119 (0.37) DRD2DRD3

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 SUV39H2 1834/4885DRD2 81/4885ACACB 4673/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS SUV39H2 1714/4885DRD2 82/4885ACACB 4662/4885

“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.