SCHEMBL4663138

SCHEMBL4663138

CC(C)c1nc2c(OCc3ccccc3)cc(Br)cc2n1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.45
CCR5 P51681 1/20 0.41
RAB9A P51151 2/20 0.41
SRD5A2 P31213 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
SRD5A1 P18405 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RHEB Q15382 1/20 0.40
MAOB P27338 1/20 0.39
SLC6A4 P31645 1/20 0.39
ACACB O00763 2/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 1/20 0.38
KDM1A O60341 2/20 0.37

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 0.84 MEN1 (0.46) GCKRAB9ASRD5A2MEN1NPC1
SCHEMBL4664771 0.82 RHEB (0.48) GCKRAB9ASRD5A2MEN1NPC1
SCHEMBL4663154 0.80 PTGER1 (0.40) GCKRAB9ASRD5A2MEN1NPC1
SCHEMBL4663172 0.79 BRD4 (0.47) RAB9ASRD5A2NPC1SRD5A1RHEB
SCHEMBL4662918 0.79 MCHR1 (0.51) RAB9ASRD5A2MEN1NPC1KMT2A
SCHEMBL34475846 0.76 MAOB (0.43) GCKCCR5RAB9ASRD5A2MEN1
SCHEMBL34475876 0.76 L3MBTL1 (0.51) GCKCCR5RAB9ANPC1ALDH1A1
SCHEMBL30501926 0.75 TNF (0.47) GCKMEN1KMT2ASTAT3HTT
SCHEMBL18372654 0.75 TNF (0.47) GCKMEN1KMT2ASTAT3HTT
SCHEMBL7978839 0.73 LMNA (0.45) RAB9ASRD5A2SRD5A1ALDH1A1RHEB

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 GCK 332/4885CCR5 3236/4885RAB9A 4475/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI GCK 106/4885CCR5 3676/4885RAB9A 2004/4885

“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.