SCHEMBL4664802

SCHEMBL4664802

CN(C)C(=O)c1cc(O)c2nc(C3CC3)n(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2B P41595 1/20 0.34
PROKR1 Q8TCW9 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PDE9A O76083 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
PIK3CD O00329 1/20 0.31
DPP4 P27487 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM5A P29375 1/20 0.31
ACLY P53396 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL3555267 0.80 ALDH1A1 (0.34) BRD4POLBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5901225 0.79 CA12 (0.45) BRD4PARP1ALDH1A1SMN1; SMN2
SCHEMBL4662894 0.76 ACSS2 (0.34) BRD4ALDH1A1
SCHEMBL4664646 0.76 PDE9A (0.40) BRD4ALDH1A1HSD17B10TLR7PDE9A
SCHEMBL4663143 0.75 HDAC4 (0.35) ALDH1A1KEAP1NFE2L2
SCHEMBL5901229 0.72 SLC9A3 (0.35) PARP1ALDH1A1ALOX15HSD17B10HTR2B
SCHEMBL8135378 0.72 BRD4 (0.40) BRD4PARP1ALDH1A1ALOX15HSD17B10
SCHEMBL4664629 0.70 ALDH1A1 (0.41) BRD4PARP1ALDH1A1ALOX15HSD17B10
SCHEMBL25647191 0.68 L3MBTL1 (0.37) ALDH1A1PIK3CDSMN1; SMN2KDM5AKDM2B
SCHEMBL4664631 0.68 PARP1 (0.36) BRD4PARP1ALDH1A1ALOX15HSD17B10

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 3 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

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 BRD4 85/4885POLB 3725/4885PARP1 3691/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI BRD4 1068/4885POLB 2837/4885PARP1 3997/4885

“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.