SCHEMBL4961708

SCHEMBL4961708

CCOC(=O)c1cc2c(nc(C)n2C)c2c1CCC(OC)(c1ccccc1)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 6/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
OPRM1 P35372 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL4963101 0.90 DHODH (0.34)
SCHEMBL4737070 0.84 ALDH1A1 (0.36) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4737642 0.81 NPY5R (0.37) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5109455 0.80 DHODH (0.33)
SCHEMBL5323237 0.76 AKT1 (0.35) KDM4EALDH1A1L3MBTL1OPRM1MEN1
SCHEMBL4664632 0.76 ALDH1A1 (0.38) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5115255 0.75 HTT (0.36) MEN1KMT2ALMNATSHR
SCHEMBL5109671 0.74 RORC (0.34) L3MBTL1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4738609 0.73 DHODH (0.36) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4734073 0.70 CHIA (0.33) KDM4EHPGDHSD17B10NPC1RAB9A

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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
EP-1863820-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES Nycomed GmbH (DE) 2007-12-12 EP disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO disclosed
WO-2006100255-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES NYCOMED GMBH (DE) 2006-09-28 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 (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 KDM4E 2195/4885ALDH1A1 76/4885L3MBTL1 4013/4885

“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.