SCHEMBL4664646

SCHEMBL4664646

CC(C)c1nc2c(O)cc(C(=O)N(C)C)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.40
ABL1 P00519 1/20 0.35
CRBN Q96SW2 1/20 0.34
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
BRD4 O60885 1/20 0.31
ERN1 O75460 1/20 0.30
ACSS2 Q9NR19 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
PIK3C2B O00750 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PABPC1 P11940 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3555267 0.82 ALDH1A1 (0.34) ABL1BRD4ERN1ACSS2KDM4E
SCHEMBL4662894 0.78 ACSS2 (0.34) BRD4ERN1ACSS2PIK3C2BALDH1A1
SCHEMBL4663143 0.77 HDAC4 (0.35) ERN1ACSS2ALDH1A1GAA
SCHEMBL4664802 0.76 BRD4 (0.36) PDE9ATLR7BRD4KDM5AALDH1A1
SCHEMBL25301126 0.69 ACLY (0.33) ERN1ALDH1A1
SCHEMBL30482620 0.69 ACLY (0.33) ERN1ALDH1A1
SCHEMBL4663206 0.68 ALPL (0.34) BRD4ACSS2PIK3C2BKDM4EALDH1A1
SCHEMBL7965248 0.67 TLR8 (0.42) TLR8PIK3C2BKDM4EALDH1A1GAA
SCHEMBL4777017 0.67 NPC1 (0.34) ABL1BRD4ACSS2KDM4EALDH1A1
SCHEMBL4592596 0.67 MAP4K1 (0.36) ABL1BRD4ACSS2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
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
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 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 (2 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 PDE9A 3841/4885ABL1 1718/4885CRBN 572/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI PDE9A 675/4885ABL1 3091/4885CRBN 1450/4885

“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.