SCHEMBL1337136

SCHEMBL1337136

O=C(NC1CCCCC1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.56
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
RIPK1 Q13546 1/20 0.47
PRSS12 P56730 1/20 0.47
MAPK14 Q16539 1/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 1/20 0.46
LCK P06239 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
PTPN7 P35236 1/20 0.44
RECQL P46063 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
SCHEMBL1966629 0.92 PTGES (0.56) PTGESNPC1RAB9AL3MBTL1PRSS12
SCHEMBL1965291 0.92 PTGES (0.56) PTGESNPC1RAB9AL3MBTL1PRSS12
SCHEMBL1967513 0.88 PTGES (0.58) PTGESHDAC6SMYD3POLB
SCHEMBL13392968 0.85 PTGES (0.55) PTGESNPC1RAB9AL3MBTL1PRSS12
SCHEMBL1968187 0.85 HDAC6 (0.43) PTGESNPC1RAB9AHDAC6SMYD3
SCHEMBL12132139 0.84 PTGES (0.55) PTGESNPC1RAB9ARIPK1MAPK14
SCHEMBL1251024 0.83 DGAT1 (0.62) NPC1RAB9AL3MBTL1PRSS12MAPK14
SCHEMBL13392979 0.83 PTGES (0.59) PTGESNPC1RAB9AMAPK14KMT2A
SCHEMBL1965467 0.82 POLB (0.60) LMNAHDAC6USP2POLBESR2
SCHEMBL1338148 0.82 PTGES (0.57) PTGESNPC1RAB9AMAPK14CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US claimed
EP-2361252-A1 3H-IMIDAZO [4, 5-C]PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-08-31 EP claimed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
WO-2010034798-A1 3H-IMIDAZO [4, 5-C] PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, IL4, MAP7D3 PTGES 151/4885NPC1 4742/4885RAB9A 936/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 PTGES 118/4885NPC1 4650/4885RAB9A 867/4885

“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.