SCHEMBL1967641

SCHEMBL1967641

Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)On3nnc4ccccc43)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.51
▸ HDAC3 O15379 4/20 0.51
▸ HDAC4 P56524 4/20 0.51
▸ HDAC1 Q13547 4/20 0.51
▸ HDAC7 Q8WUI4 4/20 0.51
▸ HDAC2 Q92769 4/20 0.51
▸ HDAC10 Q969S8 4/20 0.51
▸ HDAC11 Q96DB2 4/20 0.51
▸ HDAC8 Q9BY41 4/20 0.51
▸ HDAC9 Q9UKV0 4/20 0.51
▸ HDAC5 Q9UQL6 4/20 0.51
▸ SIRT2 Q8IXJ6 4/20 0.48
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ LCK P06239 2/20 0.39

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
SCHEMBL1966953 0.85 HDAC1 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL16318619 0.82 HDAC6 (0.51) HDAC6NPC1RAB9ALCK
SCHEMBL1965470 0.78 HDAC6 (0.56) HDAC6HDAC1HDAC8GAALCK
SCHEMBL69679 0.75 HDAC3 (0.69) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1968998 0.74 HDAC6 (0.65) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL10323651 0.74 MGAM (0.65) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1972073 0.73 GRM5 (0.52) HDAC6NPC1RAB9AKMT2ALCK
SCHEMBL1974190 0.73 HDAC6 (0.47) HDAC6NPC1RAB9ALCK
SCHEMBL6539230 0.73 HDAC3 (0.80) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1968497 0.71 TP53 (0.56) HDAC6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 — — 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
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 (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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 HDAC6 177/4885HDAC3 67/4885HDAC4 126/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 HDAC6 2954/4885HDAC3 2270/4885HDAC4 4529/4885

“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.

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