SCHEMBL5116642

SCHEMBL5116642

CCOC(=O)c1cc2c(nc(C)n2C)c(O)c1CN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
PKM P14618 2/20 0.41
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADORA2A P29274 1/20 0.40
SLC6A4 P31645 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL4574787 0.84 MEN1 (0.33) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL4664575 0.78 KMT2A (0.41) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL4735946 0.77 ELANE (0.40) GAAALDH1A1MAPTKMT2APKM
SCHEMBL6020928 0.77 RAB9A (0.34) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL4664692 0.76 GAA (0.33) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL4664863 0.76 LMNA (0.40) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL5657409 0.75 KDM4E (0.32) GAAALDH1A1MAPTPKMKDM4E
SCHEMBL5657400 0.74 ALDH1A1 (0.31) GAAALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4736255 0.73 ALDH1A1 (0.39) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL4666506 0.73 MAP4K1 (0.33) GAAALDH1A1MAPTKMT2AMEN1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 GAA 1471/4885ALDH1A1 76/4885MAPT 4107/4885

“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.