SCHEMBL4664726

SCHEMBL4664726

COCn1c(C)nc2c(O)c(CCC(O)c3ccccc3)c(C(=O)N(C)C)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BRD4 O60885 2/20 0.31
CXCR2 P25025 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DHFR P00374 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
PDE2A O00408 2/20 0.30
CTSA P10619 1/20 0.30
CXCR1 P25024 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
SCHEMBL5109495 0.88 NPC1 (0.33)
SCHEMBL5109499 0.88 NPC1 (0.33)
SCHEMBL4662901 0.86 CXCR2 (0.33) KDM4EALDH1A1BRD4CXCR2LMNA
SCHEMBL4664643 0.86 CXCR2 (0.33) KDM4EALDH1A1BRD4CXCR2LMNA
SCHEMBL5138943 0.86 CXCR2 (0.33) KDM4EALDH1A1BRD4CXCR2LMNA
SCHEMBL4664676 0.79 CXCR2 (0.34) KDM4EALDH1A1CXCR2PPARGPPARA
SCHEMBL4664608 0.79 PDK1 (0.32) KDM4EALDH1A1CXCR2MEN1LMNA
SCHEMBL4962499 0.79 NPC1 (0.33) CTSA
SCHEMBL5118501 0.79 NPC1 (0.33) CTSA
SCHEMBL4962514 0.78

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 KDM4E 1927/4885ALDH1A1 293/4885BRD4 85/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI KDM4E 3472/4885ALDH1A1 2588/4885BRD4 1068/4885

“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.