SCHEMBL2925221

SCHEMBL2925221

CCOC(=O)c1c(SCc2ccccc2)ccc([N+](=O)[O-])c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 6/20 0.53
GSTM2 P28161 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
AR P10275 3/20 0.42

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
SCHEMBL2928120 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL2930841 0.82 CACNA1C (0.48) GSTP1GSTM2SMN1; SMN2ALDH1A1NPC1
SCHEMBL7473555 0.80 GSTP1 (0.61) GSTP1GSTM2SMN1; SMN2ALDH1A1NPC1
SCHEMBL940019 0.74 PRKCZ (0.45) SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL15808259 0.73 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1NPC1HPGDKMT2A
SCHEMBL27362998 0.72 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL16047399 0.70 HPGD (0.45) GSTP1GSTM2SMN1; SMN2ALDH1A1NPC1
SCHEMBL1165138 0.70 CTSV (0.47) ALDH1A1RAB9AKMT2APOLBMEN1
SCHEMBL11973051 0.70 POLB (0.72) GSTP1GSTM2ALDH1A1NPC1RAB9A
SCHEMBL4728649 0.69 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR

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 GSTP1 1454/4885GSTM2 2657/4885SMN1; SMN2 4540/4885

“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.