SCHEMBL6801970

SCHEMBL6801970

COc1cccc(Nc2cc(F)c(F)cc2C(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.73
AKR1C2 P52895 10/20 0.73
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
GFER P55789 3/20 0.61
LMNA P02545 2/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 2/20 0.57
CTSV O60911 2/20 0.57
CTSL P07711 2/20 0.57
NPC1 O15118 2/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL9594696 0.86 AKR1C3 (0.81) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL30701240 0.85 AKR1C3 (1.00) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL9594214 0.85 AKR1C3 (1.00) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL6801411 0.85 AKR1C3 (0.71) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL11540106 0.82 AKR1C3 (0.79) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL6801430 0.81 MPO (0.57) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL28741297 0.81 MEN1 (0.72) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL9593696 0.81 AKR1C3 (0.82) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL9594435 0.81 AKR1C3 (0.73) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL6800574 0.81 CTSV (0.54) AKR1C3AKR1C2MEN1KMT2AGFER

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 AKR1C3 4233/4885AKR1C2 4195/4885MEN1 2437/4885

“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.