SCHEMBL6784014

SCHEMBL6784014

O=C(O)c1cccc(CNC(=O)c2ccc3[nH]cnc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.55
POLB P06746 1/20 0.54
ROCK2 O75116 5/20 0.53
ROCK1 Q13464 2/20 0.53
EPHX2 P34913 1/20 0.51
CYP4Z1 Q86W10 1/20 0.50
CASP6 P55212 1/20 0.49
MMP13 P45452 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
PPARG P37231 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.46
PLAU P00749 1/20 0.46

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
SCHEMBL3153245 0.89 POLB (0.62) NR1H4POLBEPHX2CASP6ADORA3
SCHEMBL13373327 0.86 MMP13 (0.54) POLBROCK2CASP6MMP13PPARG
SCHEMBL5305972 0.81 L3MBTL1 (0.57) POLBROCK2ROCK1MMP13LMNA
SCHEMBL13373317 0.81 POLB (0.61) POLBROCK2ROCK1CASP6MMP13
SCHEMBL13373334 0.80 L3MBTL1 (0.64) POLBHDAC2HDAC8HDAC6NAMPT
SCHEMBL13373328 0.80 POLB (0.63) POLBCASP6NAMPT
SCHEMBL6779931 0.80 NR1H4 (0.53) NR1H4ROCK2ROCK1EPHX2CYP4Z1
SCHEMBL5947 0.79 KDM4E (0.53) POLBHDAC6LMNA
SCHEMBL12316322 0.79 POLB (0.51) POLBCASP6ADORA3ADORA2AADORA2B
Hydrochloric Acid SCHEMBL9928726 0.78 KDM4E (0.51) POLBHDAC6LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006104-A1 Neutrophil inhibitors to reduce inflammatory response THE PROCTER & GAMBLE COMPANY 2004-01-08 US disclosed
WO-2002016327-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS NEUTROPHIL INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-02-28 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-20040006104-A1 Neutrophil inhibitors to reduce inflammatory response MPO, SERPINB1, NCF1 NR1H4 853/4885POLB 3886/4885ROCK2 381/4885

“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.