SCHEMBL16364091

SCHEMBL16364091

N#CC1(NC(=O)c2ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.39
PTGES O14684 6/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
HDAC11 Q96DB2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
LCK P06239 2/20 0.37
CTSL P07711 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ACSS2 Q9NR19 1/20 0.37

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
SCHEMBL13393164 0.87 PTGES (0.40) PTGESMEN1NPC1KMT2ARAB9A
SCHEMBL13393125 0.87 CNR2 (0.42) PTGESMEN1NPC1KMT2ARAB9A
SCHEMBL16352187 0.80 HDAC6 (0.45) DGAT2PTGESANO1LCKCTSL
SCHEMBL1966629 0.79 PTGES (0.56) PTGESMEN1NPC1KMT2ARAB9A
SCHEMBL1965291 0.79 PTGES (0.56) PTGESMEN1NPC1KMT2ARAB9A
SCHEMBL1964392 0.77 AKR1C3 (0.55) MEN1NPC1KMT2ARAB9AHDAC11
SCHEMBL16318523 0.76 PTGES (0.55) PTGESMEN1NPC1KMT2ARAB9A
SCHEMBL13393275 0.76 LCK (0.46) MEN1NPC1KMT2ARAB9AHDAC11
SCHEMBL1963984 0.76 PTGES (0.52) PTGESMEN1NPC1KMT2ARAB9A
SCHEMBL16364384 0.76 NPC1 (0.54) PTGESMEN1NPC1KMT2ARAB9A

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-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 (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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 DGAT2 4852/4885PTGES 118/4885MEN1 2080/4885

“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.