SCHEMBL5770698

SCHEMBL5770698

O=C(O)CCNC(=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 4/20 0.49
HDAC6 Q9UBN7 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
CASP6 P55212 1/20 0.46
NAMPT P43490 2/20 0.46
HDAC1 Q13547 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44

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
SCHEMBL6783835 0.92 HTT (0.53) HTTL3MBTL1POLBHDAC6TDP1
SCHEMBL2351821 0.86 HTT (0.57) HTTL3MBTL1POLBHDAC6TDP1
SCHEMBL2350429 0.85 HTT (0.56) HTTL3MBTL1POLBHDAC6TDP1
Hydrochloric Acid SCHEMBL2348443 0.84 HTT (0.55) HTTL3MBTL1POLBHDAC6TDP1
SCHEMBL13373334 0.83 L3MBTL1 (0.64) HTTL3MBTL1POLBHDAC6TDP1
SCHEMBL2353678 0.83 HTT (0.57) HTTL3MBTL1POLBHDAC6TDP1
SCHEMBL13373316 0.83 HTT (0.57) HTTL3MBTL1POLBHDAC6TDP1
SCHEMBL2352590 0.83 HTT (0.54) HTTL3MBTL1POLBHDAC6TDP1
SCHEMBL2355361 0.82 HTT (0.55) HTTL3MBTL1POLBHDAC6TDP1
SCHEMBL2352195 0.82 HTT (0.56) HTTL3MBTL1POLBHDAC6TDP1

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-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed
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 HTT 4172/4885L3MBTL1 4198/4885POLB 3886/4885

“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.