SCHEMBL4663206

SCHEMBL4663206

COCn1c(C)nc2c(O)cc(C(=O)N(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.34
ALPG P10696 2/20 0.34
ALPP P05187 1/20 0.34
PLAA Q9Y263 1/20 0.34
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGER4 P35408 1/20 0.33
BRD4 O60885 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
DCTPP1 Q9H773 2/20 0.32
PIK3C2B O00750 1/20 0.31
CYP19A1 P11511 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL25664118 0.86 F2 (0.32) ALPLALPGALPPPLAAF2
SCHEMBL4664611 0.84 NPC1 (0.37) ALPLALPGALPPPLAAF2
SCHEMBL25664103 0.81 ACSS2 (0.32) F2F10ACSS2
SCHEMBL16372154 0.80 BRD4 (0.48) F2F10KDM4ETDP1BRD4
SCHEMBL25647219 0.79 ALPL (0.36) ALPLALPGALPPPLAAF2
SCHEMBL3555267 0.79 ALDH1A1 (0.34) KDM4EBRD4ACSS2NPC1RAB9A
SCHEMBL4666497 0.78 BRD4 (0.47) F2F10BRD4NPC1RAB9A
SCHEMBL25301126 0.74 ACLY (0.33) SMN1; SMN2ALDH1A1
SCHEMBL30482620 0.74 ACLY (0.33) SMN1; SMN2ALDH1A1
SCHEMBL3267586 0.73 AURKA (0.40) ALDH1A1

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 ALPL 2694/4885ALPG 4545/4885ALPP 1594/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI ALPL 1732/4885ALPG 2765/4885ALPP 1205/4885

“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.