SCHEMBL6167819

SCHEMBL6167819

CCC(NC1CC1)=C(C(=O)O)C(=O)c1cc(F)c(Cl)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
HPGD P15428 2/20 0.40
ACKR3 P25106 1/20 0.39
GAA P10253 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KAT8 Q9H7Z6 2/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
FASN P49327 2/20 0.32
SLC6A12 P48065 1/20 0.32
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL23620717 0.83 HPGD (0.43) HPGDACKR3GAARAB9ANPC1
SCHEMBL10423017 0.78 ALDH1A1 (0.40) HPGDGAARAB9ANPC1SMN1; SMN2
SCHEMBL6221426 0.74 KEAP1 (0.49) KEAP1NFE2L2HPGDRAB9ANPC1
SCHEMBL19971415 0.74 KEAP1 (0.49) KEAP1NFE2L2HPGDRAB9ANPC1
SCHEMBL141512 0.72 CNR1 (0.35) CNR1CNR2PDE4B
SCHEMBL5779089 0.71 KEAP1 (0.49) KEAP1NFE2L2HPGDACKR3GAA
SCHEMBL5779087 0.71 KEAP1 (0.49) KEAP1NFE2L2HPGDACKR3GAA
SCHEMBL4513190 0.70 HPGD (0.51) KEAP1NFE2L2HPGDACKR3GAA
SCHEMBL23497859 0.69 KEAP1 (0.46) KEAP1NFE2L2HPGDSMN1; SMN2ALDH1A1
SCHEMBL5256943 0.69 KEAP1 (0.40) KEAP1NFE2L2HPGDACKR3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341781-B1 ANTIMICROBIAL QUINOLONES PROCTER & GAMBLE (US) 2005-09-14 EP disclosed
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO disclosed
US-20040029882-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE CO. 2004-02-12 US disclosed
US-6645981-B2 For therapy of microbial infection THE PROCTER & GAMBLE COMPANY 2003-11-11 US disclosed
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2003-01-09 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 (3 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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KEAP1 1044/4885NFE2L2 1732/4885HPGD 1055/4885
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KEAP1 1044/4885NFE2L2 1732/4885HPGD 1055/4885
US-20040029882-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KEAP1 1044/4885NFE2L2 1732/4885HPGD 1055/4885

“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.