SCHEMBL4664608

SCHEMBL4664608

CC(C)c1nc2c(O)c(CCC(O)c3ccccc3)c(C(=O)N(C)C)cc2n1C

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
CXCR2 P25025 4/20 0.31
CXCR1 P25024 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRKDC P78527 1/20 0.31
GSK3B P49841 1/20 0.31
HIF1A Q16665 1/20 0.30
FAAH O00519 1/20 0.30
PDE2A O00408 1/20 0.30
DHFR P00374 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
SCHEMBL4664643 0.89 CXCR2 (0.33) KDM4EALDH1A1LMNACXCR2CXCR1
SCHEMBL4662901 0.89 CXCR2 (0.33) KDM4EALDH1A1LMNACXCR2CXCR1
SCHEMBL5138943 0.89 CXCR2 (0.33) KDM4EALDH1A1LMNACXCR2CXCR1
SCHEMBL4664676 0.87 CXCR2 (0.34) KDM4EALDH1A1CXCR2CXCR1NPC1
SCHEMBL4664660 0.85 NPC1 (0.33) KDM4EALDH1A1CXCR2CXCR1NPC1
SCHEMBL4664836 0.84 PARP1 (0.35) KDM4EALDH1A1LMNACXCR2CXCR1
SCHEMBL4663226 0.84 KMT2A (0.33) PDK1NPC1RAB9AMEN1KMT2A
SCHEMBL5107986 0.81 AOC3 (0.37) MEN1KMT2AHIF1A
SCHEMBL5107989 0.81 AOC3 (0.37) MEN1KMT2AHIF1A
SCHEMBL5106851 0.79 AOC3 (0.32) KDM4EMEN1KMT2A

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 PDK1 435/4885KDM4E 1927/4885ALDH1A1 293/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI PDK1 1317/4885KDM4E 3472/4885ALDH1A1 2588/4885

“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.