SCHEMBL6801259

SCHEMBL6801259

O=C(O)c1cc(F)c(Cl)cc1NC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA3 P07451 3/20 0.54
CA6 P23280 3/20 0.54
CA7 P43166 3/20 0.54
CA5B Q9Y2D0 3/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA13 Q8N1Q1 2/20 0.54
CISD1 Q9NZ45 1/20 0.54
CA4 P22748 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.49
ROCK2 O75116 1/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4514005 0.94 CA1 (0.51) CA1CA2CA3CA6CA7
SCHEMBL4511114 0.87 ROCK2 (0.56) CA1CA2CA3CA6CA7
SCHEMBL3313227 0.81 CA1 (0.53) CA1CA2CA3CA6CA7
SCHEMBL15635143 0.81 CA1 (0.50) CA1CA2CA3CA6CA7
SCHEMBL6799507 0.79 GAA (0.49) HPGDROCK2SMN1; SMN2GAA
SCHEMBL31433781 0.78 ROCK2 (0.48) CA1CA2CA3CA6CA7
SCHEMBL20337719 0.77 ROCK2 (0.39) CA1CA2CA3CA6CA7
SCHEMBL31149474 0.77 ROCK2 (0.39) CA1CA2CA3CA6CA7
SCHEMBL27577573 0.76 ROCK2 (0.44) CA1CA2CA3CA6CA7
SCHEMBL6801599 0.76 NPC1 (0.53) CA1CA2CA3CA6CA7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825199-B2 7-Substituted quinazolin-2,4-diones useful as antibacterial agents WARNER-LAMBERT COMPANY 2004-11-30 US disclosed
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP disclosed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US disclosed
US-6331538-B1 TREATMENT OF BACTERIAL INFECTION WARNER-LAMBERT COMPANY 2001-12-18 US disclosed
EP-1028950-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1999021840-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO 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 (1 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-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents NQO2, TOP1, TOP2A CA1 4843/4885CA2 3969/4885CA3 4841/4885

“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.