SCHEMBL4662895

SCHEMBL4662895

Cc1nc2c(OCc3ccccc3)cc(Br)cc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SRD5A2 P31213 2/20 0.43
SRD5A1 P18405 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GCK P35557 2/20 0.42
RHEB Q15382 1/20 0.42
MAOB P27338 1/20 0.41
PTGER1 P34995 3/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 1/20 0.41
ATP4A P20648 1/20 0.41

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
SCHEMBL30501926 0.85 TNF (0.47) MEN1KMT2ASTAT3HTTSMN1; SMN2
SCHEMBL18372654 0.85 TNF (0.47) MEN1KMT2ASTAT3HTTSMN1; SMN2
SCHEMBL4664771 0.85 RHEB (0.48) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL4663138 0.84 GCK (0.45) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL5901519 0.84 KMT2A (0.45) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL5901760 0.84 RHEB (0.49) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL4664857 0.83 GCK (0.40) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL4663154 0.83 PTGER1 (0.40) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL4662918 0.82 MCHR1 (0.51) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL5173716 0.81 MAPT (0.53) MEN1KMT2ANPC1RAB9ASTAT3

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-2008151927-A2 6-N-SUBSTITUTED BENZ IMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS NYCOMED GMBH (DE) 2008-12-18 WO 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 (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 MEN1 3164/4885KMT2A 3220/4885NPC1 2772/4885
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI MEN1 2551/4885KMT2A 4095/4885NPC1 2535/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI MEN1 2783/4885KMT2A 4735/4885NPC1 2631/4885

“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.