SCHEMBL4664625

SCHEMBL4664625

COCc1cc2c(nc(C)n2C)c2c1CCC(c1ccccc1)O2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
PTAFR P25105 1/20 0.33
SLC8A1 P32418 6/20 0.32
RAB9A P51151 1/20 0.32
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
F2 P00734 1/20 0.31
CSF1R P07333 1/20 0.30
LMNA P02545 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
CYP19A1 P11511 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
Oxalic Acid SCHEMBL5656929 0.95 RAB9A (0.35) ATP4AATP4BSLC8A1RAB9AF2
SCHEMBL5661208 0.92 ATP4A (0.34) ATP4AATP4BPTAFRSLC8A1
SCHEMBL4964853 0.88 ADRA1A (0.31) SLC8A1
SCHEMBL4662876 0.88 ATP4A (0.37) ATP4AATP4BSLC8A1RAB9ALMNA
SCHEMBL4663178 0.80 DHODH (0.36) ATP4AATP4BSLC8A1RAB9ACYP19A1
SCHEMBL5506546 0.80 ATP4A (0.35) ATP4AATP4BRAB9ALMNA
SCHEMBL6019450 0.80 DHODH (0.36) ATP4AATP4BSLC8A1RAB9ACYP19A1
SCHEMBL6020045 0.80 DHODH (0.36) ATP4AATP4BSLC8A1RAB9ACYP19A1
SCHEMBL4666543 0.78 RAB9A (0.35) ATP4AATP4BSLC8A1RAB9A
SCHEMBL5506543 0.78 RAB9A (0.35) ATP4AATP4BSLC8A1RAB9ACYP19A1

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 ATP4A 417/4885ATP4B 762/4885PTAFR 3915/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI ATP4A 120/4885ATP4B 129/4885PTAFR 4180/4885

“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.