SCHEMBL4664676

SCHEMBL4664676

CCc1nc2c(O)c(CCC(O)c3ccccc3)c(C(=O)N(C)C)cc2n1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.34
CXCR1 P25024 4/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
POLB P06746 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL5138943 0.89 CXCR2 (0.33) CXCR2CXCR1PPARGPPARAKDM4E
SCHEMBL4664643 0.89 CXCR2 (0.33) CXCR2CXCR1PPARGPPARAKDM4E
SCHEMBL4662901 0.89 CXCR2 (0.33) CXCR2CXCR1PPARGPPARAKDM4E
SCHEMBL4664608 0.87 PDK1 (0.32) CXCR2CXCR1NPC1RAB9AKDM4E
SCHEMBL4664660 0.85 NPC1 (0.33) CXCR2CXCR1NPC1RAB9AKDM4E
SCHEMBL5657349 0.85 CXCR2 (0.32) CXCR2CXCR1PPARGPPARA
SCHEMBL4664836 0.84 PARP1 (0.35) CXCR2CXCR1KDM4EALDH1A1
SCHEMBL4664854 0.83 KMT2A (0.34) RAB9APPARGALDH1A1
SCHEMBL4963790 0.80
SCHEMBL5107989 0.80 AOC3 (0.37)

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 CXCR2 4099/4885CXCR1 2925/4885NPC1 2772/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI CXCR2 4387/4885CXCR1 4154/4885NPC1 2631/4885

“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.