SCHEMBL4895686

SCHEMBL4895686

CN(C)C(=O)C1CC(=O)C(N=Nc2ccccc2)=C(O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 4/20 0.39
RECQL P46063 4/20 0.39
KDM4E B2RXH2 3/20 0.39
THRB P10828 3/20 0.39
POLB P06746 2/20 0.39
APEX1 P27695 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NSD2 O96028 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
BUB1 O43683 7/20 0.37
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL4895681 1.00 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL4896668 0.85 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL4243862 0.82 BUB1 (0.53) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL4243859 0.82 BUB1 (0.53) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL10953757 0.67 METAP1 (0.46) SMN1; SMN2BUB1TSHR
SCHEMBL4242404 0.67 ATM (0.48) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL19417742 0.66 HSD11B1 (0.42) NPC1RAB9A
SCHEMBL9704433 0.63 MAPT (0.53) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL9704429 0.63 MAPT (0.53) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL4889582 0.63 BUB1 (0.35) NSD2BUB1

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 ALDH1A1 1947/4885MAPT 3207/4885MEN1 2504/4885
US-20070244154-A1 Substituted Tricyclic Benzimidazoles VIP, GIPR, SLC10A2 ALDH1A1 510/4885MAPT 4763/4885MEN1 2333/4885

“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.