SCHEMBL1972401

SCHEMBL1972401

Cn1c(Nc2ccccc2OC(F)(F)F)nc2cc(C(=O)Nc3ccc(Br)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.51
IDH1 O75874 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
KIF11 P52732 2/20 0.46
MAPT P10636 3/20 0.43
AHR P35869 1/20 0.43
RAB9A P51151 4/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
NPC1 O15118 3/20 0.43
BRAF P15056 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAF1 P04049 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NAMPT P43490 1/20 0.42
HTT P42858 1/20 0.42
PTGES O14684 1/20 0.42

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
SCHEMBL3129942 0.84 HDAC6 (0.51) HDAC6IDH1KIF11RAB9ANPC1
SCHEMBL13393201 0.81 HDAC6 (0.56) HDAC6MEN1KMT2AATMMAPT
SCHEMBL1969564 0.81 HDAC6 (0.47) HDAC6IDH1MEN1KMT2AATM
SCHEMBL13393026 0.81 HDAC6 (0.53) HDAC6MEN1KMT2AATMMAPT
SCHEMBL1973014 0.79 MTOR (0.48) MEN1KMT2AMAPTRAB9ASAE1
SCHEMBL1975385 0.79 HDAC6 (0.55) HDAC6MEN1KMT2AATMRAB9A
SCHEMBL13393463 0.79 HDAC6 (0.50) HDAC6IDH1MEN1KMT2AATM
SCHEMBL1964550 0.79 HDAC6 (0.48) HDAC6MEN1KMT2AATMMAPT
SCHEMBL1965349 0.79 MEN1 (0.49) HDAC6MEN1KMT2AATMMAPT
SCHEMBL3703558 0.79 NAMPT (0.48) HDAC6MEN1KMT2AATMKIF11

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
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-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
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP 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 HDAC6 177/4885IDH1 421/4885MEN1 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.