SCHEMBL4664629

SCHEMBL4664629

CN(C)C(=O)c1cc2c(nc(C3CC3)n2C)c(O)c1CCC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
PARP1 P09874 1/20 0.36
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HSD11B1 P28845 4/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
BRD4 O60885 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
ITK Q08881 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
SCHEMBL4664854 0.85 KMT2A (0.34) ALDH1A1HSD11B1KMT2AGAA
SCHEMBL4663226 0.84 KMT2A (0.33) HSD11B1KMT2AITK
SCHEMBL4666499 0.83 CYP2C9 (0.37) HSD11B1KMT2AKEAP1NFE2L2
SCHEMBL4963473 0.77 SMN1; SMN2 (0.41) ALDH1A1KMT2ALMNA
SCHEMBL4964535 0.77 PDK1 (0.35) ALDH1A1HSD11B1LMNAGAAPKM
SCHEMBL4963781 0.76 CTNNB1 (0.35) ALDH1A1HSD17B10KMT2AGAABRD4
SCHEMBL4739384 0.74 PARP1 (0.35) ALDH1A1HSD17B10PARP1PKMBRD4
SCHEMBL4964235 0.74 CTNNB1 (0.37)
SCHEMBL5666743 0.73 ALDH1A1 (0.34) ALDH1A1HSD17B10ALOX15PARP1HTR2B
SCHEMBL4964361 0.73 IDO1 (0.38) PKMBRD4

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 ALDH1A1 293/4885HSD17B10 2233/4885ALOX15 1681/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI ALDH1A1 2588/4885HSD17B10 2661/4885ALOX15 2145/4885

“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.