SCHEMBL4663154

SCHEMBL4663154

Cn1c(C(F)(F)F)nc2c(OCc3ccccc3)cc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.40
SRD5A2 P31213 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SRD5A1 P18405 1/20 0.40
RHEB Q15382 1/20 0.39
KDM1A O60341 2/20 0.39
MAOB P27338 2/20 0.38
SLC6A4 P31645 2/20 0.38
GCK P35557 2/20 0.38
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.36
CYP1A2 P05177 1/20 0.36
MPO P05164 1/20 0.36
PKM P14618 1/20 0.36
MAOA P21397 1/20 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
SCHEMBL4662913 0.86 PTGER1 (0.42) PTGER1KDM1AMAOBSLC6A4PTPN1
SCHEMBL4662895 0.83 MEN1 (0.46) PTGER1SRD5A2MEN1NPC1RAB9A
SCHEMBL4664771 0.81 RHEB (0.48) PTGER1SRD5A2MEN1NPC1RAB9A
SCHEMBL4663138 0.80 GCK (0.45) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL4664610 0.80 BRD4 (0.47) SRD5A2NPC1RAB9ASRD5A1RHEB
SCHEMBL4662918 0.78 MCHR1 (0.51) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL34475846 0.75 MAOB (0.43) PTGER1SRD5A2MEN1NPC1RAB9A
SCHEMBL7978859 0.74 ADORA1 (0.43) MEN1NPC1RAB9AKMT2ARHEB
SCHEMBL18372654 0.74 TNF (0.47) PTGER1MEN1KMT2AGCKSTAT3
SCHEMBL30501926 0.74 TNF (0.47) PTGER1MEN1KMT2AGCKSTAT3

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 5 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
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR PTGER1 308/4885SRD5A2 1668/4885MEN1 3164/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI PTGER1 2767/4885SRD5A2 2674/4885MEN1 2783/4885

“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.