SCHEMBL4514673

SCHEMBL4514673

CC(C)(C)OC(=O)NN(Cl)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.48
POLB P06746 1/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL440962 0.83 AKT1 (0.49) AKT1POLBCTSLCTSBCTSS
SCHEMBL8173651 0.81 POLB (0.67) AKT1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22433456 0.79 AKT1 (0.46) AKT1POLBCTSLCTSBCTSS
SCHEMBL28705848 0.78 AKT1 (0.50) AKT1CTSLCTSBCTSSMEN1
SCHEMBL11593319 0.76 POLB (0.46) POLBSMN1; SMN2NPC1RAB9AHTT
SCHEMBL8178633 0.76 AKT1 (0.52) AKT1POLBCTSLCTSBCTSS
SCHEMBL4514665 0.75 POLB (0.50) POLBCYP3A4CYP2C9TDP1
SCHEMBL7765596 0.74 TDP1 (0.59) POLBGAACA12CA1CYP3A4
SCHEMBL1644251 0.74 HSP90AA1 (0.60) AKT1POLBCTSLCTSBCTSS
SCHEMBL4085418 0.74 TDP1 (0.51) AKT1POLBCTSLCTSBCTSS

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 AKT1 1904/4885POLB 1541/4885CTSL 2848/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS AKT1 1964/4885POLB 1601/4885CTSL 2925/4885

“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.