SCHEMBL4889582

SCHEMBL4889582

CC(=O)NC1=C(O)CC(C(=O)N(C)C)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 9/20 0.35
NSD2 O96028 1/20 0.34

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
SCHEMBL2988471 0.67 DPP4 (0.33) BUB1
SCHEMBL13604721 0.66 NSD2 (0.39) NSD2
SCHEMBL10548995 0.64 DPP4 (0.32) BUB1
SCHEMBL4895681 0.63 ALDH1A1 (0.42) BUB1NSD2
SCHEMBL4895686 0.63 ALDH1A1 (0.42) BUB1NSD2
SCHEMBL17057353 0.63 CRBN (0.44) BUB1
SCHEMBL10856976 0.62 BUB1 (0.33) BUB1
SCHEMBL18320389 0.61 BUB1 (0.40) BUB1
SCHEMBL10953757 0.60 METAP1 (0.46) BUB1
SCHEMBL10734082 0.58 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113962-A1 Condensed Tricyclic Benzimidazoles For the Treatment of Gastrointestinal Disorders AITANA PHARMA AG (DE) 2008-05-15 US disclosed
US-20070244154-A1 Substituted Tricyclic Benzimidazoles ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
EP-1758900-B1 SUBSTITUTED TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2007-10-03 EP disclosed
EP-1799681-A1 CONDENSED TRICYCLIC BENZIMIDAZOLES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS Altana Pharma AG (DE) 2007-06-27 EP disclosed
EP-1758900-A1 SUBSTITUTED TRICYCLIC BENZIMIDAZOLES Altana Pharma AG (DE) 2007-03-07 EP disclosed
WO-2006037759-A1 CONDENSED TRICYCLIC BENZIMIDAZOLES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ALTANA PHARMA AG (DE) 2006-04-13 WO disclosed
WO-2005121139-A1 SUBSTITUTED TRICYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2005-12-22 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-20080113962-A1 Condensed Tricyclic Benzimidazoles For the Treatment of Gastrointestinal Disorders PGC, SI, VIP BUB1 1014/4885NSD2 2700/4885
US-20070244154-A1 Substituted Tricyclic Benzimidazoles VIP, GIPR, SLC10A2 BUB1 2079/4885NSD2 3390/4885

“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.