SCHEMBL4592596

SCHEMBL4592596

Cc1nc2c(N)cc(C(=O)N(C)C)cc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.36
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PABPC1 P11940 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 6/20 0.32
RAB9A P51151 6/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 2/20 0.32
BRD4 O60885 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4633318 0.91 MAP4K1 (0.34) MAP4K1ALDH1A1
SCHEMBL3555267 0.84 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4777017 0.83 NPC1 (0.34) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4633246 0.79 LMNA (0.42) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL5901177 0.73 KDM4E (0.30) ALDH1A1KDM4EGAAPABPC1HPGD
SCHEMBL4662880 0.72 BRD4 (0.50) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL4634183 0.71 KDM4E (0.35) ALDH1A1KDM4EGAAPABPC1HPGD
SCHEMBL5901876 0.71 CYP3A4 (0.39) ALDH1A1KDM4EGAAPABPC1HPGD
SCHEMBL4632998 0.71 KDM4E (0.35) ALDH1A1KDM4EGAAPABPC1HPGD
SCHEMBL4592754 0.71 CYP3A4 (0.61) ALDH1A1KDM4EGAAPABPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008084067-A2 PHARMACEUTICALLY ACTIVE DIHYDROBENZOFURANE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-07-17 WO disclosed
EP-1926714-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES Nycomed GmbH (DE) 2008-06-04 EP disclosed
EP-1910313-A1 6-THIOAMIDE SUBSTITUTED BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-16 EP disclosed
WO-2008017466-A1 PHARMACEUTICALLY ACTIVE TETRAHYDROISOQUINOLINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-02-14 WO disclosed
WO-2007023135-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2007-03-01 WO disclosed
WO-2006100254-A1 6-THIOAMIDE SUBSTITUTED BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-09-28 WO disclosed
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 EP disclosed
WO-2004054984-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA PHARMA AG (DE) 2004-07-01 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-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI MAP4K1 1038/4885ALDH1A1 576/4885MEN1 2551/4885

“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.