SCHEMBL5656761

SCHEMBL5656761

Cc1nc2c(O)cc(C(=O)N(C)C)c(CC[C@@H](O)c3ccccc3)c2n1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.32
GSK3B P49841 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CXCR2 P25025 2/20 0.31
FAAH O00519 1/20 0.31
DHFR P00374 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CXCR1 P25024 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL5657349 0.89 CXCR2 (0.32) PDK1GSK3BCXCR2PPARGPPARA
SCHEMBL5138943 0.84 CXCR2 (0.33) GSK3BALDH1A1LMNASMN1; SMN2CXCR2
SCHEMBL4662901 0.84 CXCR2 (0.33) GSK3BALDH1A1LMNASMN1; SMN2CXCR2
SCHEMBL4664643 0.84 CXCR2 (0.33) GSK3BALDH1A1LMNASMN1; SMN2CXCR2
SCHEMBL14161718 0.77 CNR1 (0.34) ALDH1A1FAAHPPARGPPARA
SCHEMBL5107989 0.76 AOC3 (0.37) MAPTCYP1A2CYP2D6
SCHEMBL5107986 0.76 AOC3 (0.37) MAPTCYP1A2CYP2D6
SCHEMBL5106851 0.75 AOC3 (0.32) KDM4E
SCHEMBL5106848 0.75 AOC3 (0.32) KDM4E
SCHEMBL4664676 0.75 CXCR2 (0.34) ALDH1A1CXCR2PPARGPPARAKDM4E

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 PDK1 435/4885GSK3B 3676/4885ALDH1A1 293/4885

“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.