SCHEMBL4664660

SCHEMBL4664660

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CXCR2 P25025 4/20 0.33
CXCR1 P25024 3/20 0.33
TACR1 P25103 4/20 0.32
KDM4E B2RXH2 2/20 0.31
CCR5 P51681 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CTSK P43235 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
SCHEMBL4662901 0.87 CXCR2 (0.33) CXCR2CXCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4664643 0.87 CXCR2 (0.33) CXCR2CXCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5138943 0.87 CXCR2 (0.33) CXCR2CXCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4664676 0.85 CXCR2 (0.34) NPC1RAB9ACXCR2CXCR1KDM4E
SCHEMBL4664608 0.85 PDK1 (0.32) NPC1RAB9ACXCR2CXCR1KDM4E
SCHEMBL4666499 0.83 CYP2C9 (0.37) RAB9ATACR1CTSK
SCHEMBL4664836 0.83 PARP1 (0.35) CXCR2CXCR1KDM4ECCR5ALDH1A1
SCHEMBL5114930 0.80 CYP2D6 (0.32) RAB9ACXCR2ALDH1A1SMN1; SMN2
SCHEMBL5114927 0.80 CYP2D6 (0.32) RAB9ACXCR2ALDH1A1SMN1; SMN2
SCHEMBL5106851 0.80 AOC3 (0.32) KDM4E

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 NPC1 2772/4885RAB9A 4475/4885CXCR2 4099/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI NPC1 2631/4885RAB9A 2004/4885CXCR2 4387/4885

“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.