SCHEMBL2932351

SCHEMBL2932351

CCOC(=O)c1c(N2CCCC2)ccc([N+](=O)[O-])c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
PKM P14618 2/20 0.51
GPR174 Q9BXC1 1/20 0.47
MAPT P10636 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HTT P42858 3/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 2/20 0.45
THRB P10828 1/20 0.45
S100A4 P26447 1/20 0.45
RECQL P46063 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL2931469 0.90 ALDH1A1 (0.52) POLBMAPTALDH1A1KMT2ACYP2C9
SCHEMBL2932033 0.82 KDM4E (0.46) POLBPKMMAPTALDH1A1MEN1
SCHEMBL14804776 0.78 ALDH1A1 (0.71) POLBPKMMAPTALDH1A1HTT
SCHEMBL940019 0.77 PRKCZ (0.45) POLBPKMMAPTALDH1A1MEN1
SCHEMBL2774048 0.77 ALDH1A1 (0.70) POLBPKMGPR174MAPTALDH1A1
SCHEMBL19700166 0.76 CTSB (0.55) POLBPKMMAPTALDH1A1HTT
SCHEMBL15808259 0.76 ALDH1A1 (0.52) POLBMAPTALDH1A1HTTMEN1
SCHEMBL2930841 0.75 CACNA1C (0.48) POLBPKMMAPTALDH1A1KMT2A
SCHEMBL27362998 0.75 ALDH1A1 (0.48) POLBPKMMAPTALDH1A1MEN1
SCHEMBL29144718 0.73 ALDH1A1 (0.48) PKMMAPTALDH1A1HTTMEN1

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
EP-1910314-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2010-09-15 EP disclosed
US-20080306064-A1 Benzimidazole Derivatives BROWN LYNDON NIGEL 2008-12-11 US disclosed
EP-1910314-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT OF INFLAMMATORY DISEASES Novartis AG (CH) 2008-04-16 EP disclosed
WO-2007009774-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2007-01-25 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 (1 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-20080306064-A1 Benzimidazole Derivatives PPARG, PPARD, BRD4 POLB 495/4885PKM 616/4885GPR174 2216/4885

“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.