SCHEMBL1967513

SCHEMBL1967513

O=C(NC1CCC(F)(F)CC1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.58
KDM1A O60341 5/20 0.45
HDAC6 Q9UBN7 2/20 0.43
SMYD3 Q9H7B4 1/20 0.42
NAMPT P43490 1/20 0.41
CNR1 P21554 1/20 0.41
DGAT1 O75907 1/20 0.41
CHEK1 O14757 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
ROCK2 O75116 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL16364051 0.93 PTGES (0.58) PTGESKDM1ASMYD3NAMPTCNR1
SCHEMBL1337136 0.88 PTGES (0.56) PTGESHDAC6SMYD3POLB
SCHEMBL1965607 0.85 PTGES (0.63) PTGES
SCHEMBL16352177 0.83 PTGES (0.56) PTGESSMYD3
SCHEMBL1968688 0.82 PTGES (0.49) PTGESHDAC6SMYD3CHEK1POLB
SCHEMBL1968187 0.81 HDAC6 (0.43) PTGESHDAC6SMYD3DGAT1CHEK1
SCHEMBL16352191 0.81 PTGES (0.56) PTGESSMYD3
SCHEMBL1965291 0.81 PTGES (0.56) PTGESSMYD3POLB
SCHEMBL1966629 0.81 PTGES (0.56) PTGESSMYD3POLB
SCHEMBL1965467 0.79 POLB (0.60) HDAC6DGAT1POLB

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-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP 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
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 PTGES 118/4885KDM1A 436/4885HDAC6 177/4885

“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.