SCHEMBL6801599

SCHEMBL6801599

O=C(NOCc1ccccc1)c1cc(F)c(Cl)cc1NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
PTGS2 P35354 1/20 0.44
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
HPGD P15428 1/20 0.39
ROCK2 O75116 1/20 0.39
EGFR P00533 1/20 0.39
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CA3 P07451 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA13 Q8N1Q1 2/20 0.38

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
SCHEMBL6797381 0.76 NPC1 (0.56) NPC1RAB9APTGS2EGFR
SCHEMBL6801259 0.76 CA1 (0.54) NPC1RAB9ACA12CA1CA2
SCHEMBL6797269 0.75 NPC1 (0.56) NPC1RAB9APTGS2HDAC3NCOR2
SCHEMBL6799839 0.73 NPC1 (0.57) NPC1RAB9APTGS2CA12CA1
SCHEMBL6797461 0.73 CTSV (0.52) NPC1RAB9APTGS2HDAC3NCOR2
SCHEMBL6797586 0.73 TRPA1 (0.45) NPC1RAB9AROCK2OPRK1PDE4D
SCHEMBL6801114 0.72 CTSV (0.51) NPC1RAB9APTGS2HDAC3NCOR2
SCHEMBL13568796 0.71 ALDH1A1 (0.49) NPC1CA12CA1CA2CA9
SCHEMBL6797514 0.71 TRPA1 (0.45) NPC1RAB9AKDM1A
SCHEMBL6799507 0.71 GAA (0.49) HPGDROCK2GAACYP1A2

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 NPC1 2059/4885RAB9A 366/4885PTGS2 2264/4885

“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.