SCHEMBL4662918

SCHEMBL4662918

Cn1c(C2CC2)nc2c(OCc3ccccc3)cc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.51
SLC6A4 P31645 1/20 0.42
KDM1A O60341 2/20 0.41
SRD5A2 P31213 2/20 0.39
SRD5A1 P18405 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
RHEB Q15382 1/20 0.39
ACACB O00763 2/20 0.39

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
SCHEMBL4662895 0.82 MEN1 (0.46) SLC6A4KDM1ASRD5A2SRD5A1MEN1
SCHEMBL4663183 0.80 MCHR1 (0.48) MCHR1SRD5A2SRD5A1NPC1RAB9A
SCHEMBL4664771 0.80 RHEB (0.48) SLC6A4KDM1ASRD5A2SRD5A1MEN1
SCHEMBL5902002 0.79 MCHR1 (0.47) MCHR1MEN1NPC1RAB9AKMT2A
SCHEMBL4663138 0.79 GCK (0.45) SLC6A4KDM1ASRD5A2SRD5A1MEN1
SCHEMBL4663154 0.78 PTGER1 (0.40) SLC6A4KDM1ASRD5A2SRD5A1MEN1
SCHEMBL15112139 0.76 BRD4 (0.39) MCHR1TLR7ACACB
SCHEMBL34475846 0.74 MAOB (0.43) SLC6A4KDM1ASRD5A2SRD5A1MEN1
SCHEMBL30501926 0.73 TNF (0.47) MEN1KMT2ATLR7
SCHEMBL18372654 0.73 TNF (0.47) MEN1KMT2ATLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 MCHR1 2115/4885SLC6A4 2893/4885KDM1A 1161/4885
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI MCHR1 2432/4885SLC6A4 755/4885KDM1A 1748/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI MCHR1 3175/4885SLC6A4 1935/4885KDM1A 3988/4885

“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.