SCHEMBL4664674

SCHEMBL4664674

Cc1nc2c3c(c(C(=O)N(C)C)cc2[nH]1)CCC(c1ccccc1)O3

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.39
BRD4 O60885 2/20 0.35
RIPK1 Q13546 1/20 0.34
PTGES O14684 3/20 0.34
PARP1 P09874 1/20 0.33
SLC8A1 P32418 1/20 0.33

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
SCHEMBL5106333 1.00 DHODH (0.39) DHODHBRD4RIPK1PTGESPARP1
Oxalic Acid SCHEMBL5657472 0.98 DHODH (0.38) DHODHBRD4RIPK1PTGESPARP1
SCHEMBL1943187 0.90 DHODH (0.33) DHODHPTGESPARP1SLC8A1
SCHEMBL4961983 0.89 DHODH (0.35) DHODHPTGESPARP1SLC8A1
SCHEMBL5506770 0.88 DHODH (0.34) DHODH
SCHEMBL4664616 0.80 RIPK1 (0.36) DHODHBRD4RIPK1SLC8A1
SCHEMBL4662902 0.80 RIPK1 (0.36) DHODHBRD4RIPK1SLC8A1
SCHEMBL4663156 0.80 RIPK1 (0.36) DHODHBRD4RIPK1SLC8A1
SCHEMBL4664631 0.76 PARP1 (0.36) BRD4RIPK1PARP1SLC8A1
SCHEMBL4664769 0.76 RIPK1 (0.36) BRD4RIPK1SLC8A1

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 DHODH 2936/4885BRD4 85/4885RIPK1 4446/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI DHODH 3933/4885BRD4 1068/4885RIPK1 4185/4885

“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.