SCHEMBL4666556

SCHEMBL4666556

CCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC(c1ccccc1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 11/20 0.43
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
VCP P55072 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
ATM Q13315 2/20 0.34
APAF1 O14727 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL4663231 0.88 LIPG (0.39) SLC8A1RAB9AMAPK1
SCHEMBL5116463 0.88 RAB9A (0.36) SLC8A1RAB9A
SCHEMBL4664655 0.88 RAB9A (0.36) SLC8A1RAB9A
SCHEMBL6020045 0.86 DHODH (0.36) SLC8A1RAB9AMAPT
SCHEMBL6019450 0.86 DHODH (0.36) SLC8A1RAB9AMAPT
SCHEMBL4663178 0.86 DHODH (0.36) SLC8A1RAB9AMAPT
SCHEMBL4664632 0.85 ALDH1A1 (0.38) SLC8A1KDM4EALDH1A1GAAHPGD
SCHEMBL5506543 0.84 RAB9A (0.35) SLC8A1RAB9A
SCHEMBL5506550 0.84 RAB9A (0.35) SLC8A1RAB9A
SCHEMBL4666543 0.84 RAB9A (0.35) SLC8A1RAB9A

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-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US claimed
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 SLC8A1 3053/4885RAB9A 4475/4885CYP1A2 116/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI SLC8A1 3552/4885RAB9A 2004/4885CYP1A2 275/4885

“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.