SCHEMBL1968390

SCHEMBL1968390

COc1cc2[nH]c(Nc3c(Cl)ccc(C)c3F)nc2cc1C(=O)NCc1ncccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.42
HDAC11 Q96DB2 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
ADORA2A P29274 3/20 0.37
RECQL P46063 1/20 0.37
ADORA1 P30542 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16318426 0.90 HDAC11 (0.45) PTGESHDAC11SLC40A1ADORA2ARECQL
SCHEMBL16318635 0.88 ADORA2A (0.45) PTGESHDAC11ADORA2AADORA1NPC1
SCHEMBL16318361 0.86 HDAC11 (0.45) PTGESHDAC11SLC40A1ADORA2ARECQL
SCHEMBL13393319 0.85 HDAC11 (0.45) PTGESHDAC11ADORA2AADORA1NPC1
SCHEMBL13393347 0.84 PTGES (0.48) PTGESHDAC11SLC40A1ADORA2AROCK2
SCHEMBL13393348 0.81 HDAC11 (0.41) PTGESHDAC11NPC1POLBRAB9A
SCHEMBL1966319 0.81 PTGES (0.46) PTGESHDAC11SLC40A1ADORA2A
SCHEMBL3704799 0.79 PTGES (0.41) PTGESSLC40A1POLBMAPT
SCHEMBL16352237 0.78 HDAC11 (0.51) PTGESHDAC11NPC1POLBRAB9A
SCHEMBL16318409 0.78 PTGES (0.48) PTGESNPC1RAB9A

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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP claimed

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 PTGES 118/4885HDAC11 158/4885SLC40A1 4449/4885

“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.