SCHEMBL4666543

SCHEMBL4666543

Cc1nc2c3c(c(C(N)=O)cc2n1C)CCC(c1ccccc1)O3

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
SLC8A1 P32418 6/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
PARP1 P09874 3/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
DHODH Q02127 1/20 0.31
HSD11B1 P28845 2/20 0.31
PIK3R2 O00459 1/20 0.31
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL6019450 0.92 DHODH (0.36) RAB9ASLC8A1ATP4AATP4BDHODH
SCHEMBL4663178 0.92 DHODH (0.36) RAB9ASLC8A1ATP4AATP4BDHODH
SCHEMBL6020045 0.92 DHODH (0.36) RAB9ASLC8A1ATP4AATP4BDHODH
SCHEMBL5506543 0.90 RAB9A (0.35) RAB9ASLC8A1ATP4AATP4BDHODH
SCHEMBL5506550 0.90 RAB9A (0.35) RAB9ASLC8A1ATP4AATP4BDHODH
SCHEMBL4664616 0.88 RIPK1 (0.36) RAB9ASLC8A1ATP4AATP4BDHODH
SCHEMBL4662902 0.88 RIPK1 (0.36) RAB9ASLC8A1ATP4AATP4BDHODH
SCHEMBL4664869 0.88 MEN1 (0.39) RAB9ASLC8A1
SCHEMBL5116463 0.88 RAB9A (0.36) RAB9ASLC8A1ATP4AATP4B
SCHEMBL4664655 0.88 RAB9A (0.36) RAB9ASLC8A1ATP4AATP4B

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 4 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

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 RAB9A 4475/4885SLC8A1 3053/4885ATP4A 417/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI RAB9A 2004/4885SLC8A1 3552/4885ATP4A 120/4885

“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.