SCHEMBL4664643

SCHEMBL4664643

Cc1nc2c(O)c(CC[C@@H](O)c3ccccc3)c(C(=O)N(C)C)cc2n1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CXCR1 P25024 3/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PRKDC P78527 1/20 0.32
GSK3B P49841 1/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
DHODH Q02127 1/20 0.31
FAAH O00519 1/20 0.31
DHFR P00374 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
P2RX3 P56373 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 1.00 CXCR2 (0.33) CXCR2ALDH1A1KDM4ECXCR1TAAR1
SCHEMBL4662901 1.00 CXCR2 (0.33) CXCR2ALDH1A1KDM4ECXCR1TAAR1
SCHEMBL5107989 0.91 AOC3 (0.37) HIF1A
SCHEMBL5107986 0.91 AOC3 (0.37) HIF1A
SCHEMBL5106848 0.90 AOC3 (0.32) KDM4E
SCHEMBL5106851 0.90 AOC3 (0.32) KDM4E
SCHEMBL4664676 0.89 CXCR2 (0.34) CXCR2ALDH1A1KDM4ECXCR1PPARG
SCHEMBL4664608 0.89 PDK1 (0.32) CXCR2ALDH1A1KDM4ECXCR1PRKDC
SCHEMBL4965043 0.89 CTSA (0.33) ALDH1A1KDM4E
SCHEMBL4962050 0.89 CTSA (0.33) ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 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-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI CXCR2 4387/4885ALDH1A1 2588/4885KDM4E 3472/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 CXCR2 4046/4885ALDH1A1 76/4885KDM4E 2195/4885

“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.