SCHEMBL3555267

SCHEMBL3555267

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
PABPC1 P11940 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
MAPT P10636 3/20 0.33
ESRRA P11474 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABL1 P00519 2/20 0.32
ERN1 O75460 1/20 0.32
BRD4 O60885 1/20 0.32
ACSS2 Q9NR19 1/20 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
SCHEMBL4592596 0.84 MAP4K1 (0.36) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4777017 0.84 NPC1 (0.34) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4662894 0.82 ACSS2 (0.34) ALDH1A1ERN1BRD4ACSS2HSP90AA1
SCHEMBL4664646 0.82 PDE9A (0.40) ALDH1A1KDM4EGAAPABPC1HPGD
SCHEMBL25301126 0.81 ACLY (0.33) ALDH1A1SMN1; SMN2ERN1
SCHEMBL30482620 0.81 ACLY (0.33) ALDH1A1SMN1; SMN2ERN1
SCHEMBL4663143 0.81 HDAC4 (0.35) ALDH1A1GAANPC1RAB9AERN1
SCHEMBL4664802 0.80 BRD4 (0.36) ALDH1A1HSD17B10POLBSMN1; SMN2BRD4
SCHEMBL4633246 0.80 LMNA (0.42) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL3558933 0.79 KDM4E (0.49) ALDH1A1MEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718809-B2 Chromane substituted benzimidazole derivatives as acid pump antagonists RAQUALIA PHARMA INC. (JP) 2010-05-18 US disclosed
EP-1893197-B1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS RAQUALIA PHARMA INC (JP) 2009-09-09 EP disclosed
US-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists RAQUALIA PHARMA INC. (JP) 2008-09-04 US disclosed
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US 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-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP 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-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO 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 (4 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-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists HRH2, HRH4, HRH1 ALDH1A1 2368/4885MEN1 3429/4885KMT2A 4564/4885
US-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR ALDH1A1 293/4885MEN1 3164/4885KMT2A 3220/4885
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI ALDH1A1 576/4885MEN1 2551/4885KMT2A 4095/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI ALDH1A1 2588/4885MEN1 2783/4885KMT2A 4735/4885

“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.