SCHEMBL4664575

SCHEMBL4664575

CCOC(=O)c1cc2c(nc(C)n2C)c(O)c1CCC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ELANE P08246 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 2/20 0.38
CCR6 P51684 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL4735946 0.89 ELANE (0.40) KMT2AALDH1A1MAPTGAAELANE
SCHEMBL4664618 0.85 KMT2A (0.35) KMT2AMEN1ALDH1A1GAARAB9A
SCHEMBL4964916 0.85 RAB9A (0.34) KMT2AMEN1ALOX15ALDH1A1MAPT
SCHEMBL4664863 0.82 LMNA (0.40) KMT2AMEN1ALOX15ALDH1A1MAPT
SCHEMBL4964193 0.82 KMT2A (0.37) KMT2AMEN1ALDH1A1ATM
SCHEMBL5140297 0.79 POLB (0.39) KMT2AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL4663216 0.78 DHFR (0.35) KMT2AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL5116642 0.78 GAA (0.43) KMT2AMEN1ALOX15ALDH1A1MAPT
SCHEMBL4963473 0.76 SMN1; SMN2 (0.41) KMT2AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL4964535 0.75 PDK1 (0.35) ALDH1A1GAASMN1; SMN2NPC1RAB9A

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 8 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-1863820-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES Nycomed GmbH (DE) 2007-12-12 EP disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
WO-2006100255-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES NYCOMED GMBH (DE) 2006-09-28 WO 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 (3 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 KMT2A 3220/4885MEN1 3164/4885ALOX15 1681/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI KMT2A 4735/4885MEN1 2783/4885ALOX15 2145/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 KMT2A 2360/4885MEN1 917/4885ALOX15 3250/4885

“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.