SCHEMBL5657349

SCHEMBL5657349

CCc1nc2c(O)cc(C(=O)N(C)C)c(CCC(O)c3ccccc3)c2n1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.32
CXCR1 P25024 3/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
PDK1 Q15118 4/20 0.32
GSK3B P49841 1/20 0.31

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
SCHEMBL5656761 0.89 PDK1 (0.32) CXCR2CXCR1PPARGPPARAPDK1
SCHEMBL4664676 0.85 CXCR2 (0.34) CXCR2CXCR1PPARGPPARA
SCHEMBL5138943 0.75 CXCR2 (0.33) CXCR2CXCR1PPARGPPARAGSK3B
SCHEMBL4664643 0.75 CXCR2 (0.33) CXCR2CXCR1PPARGPPARAGSK3B
SCHEMBL4662901 0.75 CXCR2 (0.33) CXCR2CXCR1PPARGPPARAGSK3B
SCHEMBL4664608 0.74 PDK1 (0.32) CXCR2CXCR1PDK1GSK3B
SCHEMBL4664660 0.72 NPC1 (0.33) CXCR2CXCR1
SCHEMBL4664836 0.72 PARP1 (0.35) CXCR2CXCR1
SCHEMBL14161718 0.69 CNR1 (0.34) PPARGPPARA
SCHEMBL4664622 0.69 TACR1 (0.32) PPARGGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 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 (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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR CXCR2 4099/4885CXCR1 2925/4885PPARG 1977/4885

“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.