SCHEMBL1966953

SCHEMBL1966953

Cn1c(-c2c(Cl)cccc2Cl)nc2cc(C(=O)On3nnc4ccccc43)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.52
▸ HDAC8 Q9BY41 5/20 0.52
▸ HDAC6 Q9UBN7 5/20 0.52
▸ HDAC3 O15379 4/20 0.52
▸ HDAC4 P56524 4/20 0.52
▸ HDAC7 Q8WUI4 4/20 0.52
▸ HDAC2 Q92769 4/20 0.52
▸ HDAC10 Q969S8 4/20 0.52
▸ HDAC11 Q96DB2 4/20 0.52
▸ HDAC9 Q9UKV0 4/20 0.52
▸ HDAC5 Q9UQL6 4/20 0.52
▸ SIRT2 Q8IXJ6 4/20 0.49
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 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
SCHEMBL1967641 0.85 HDAC6 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1250669 0.79 SIRT2 (0.52) SIRT2SIRT1MAPTNPSR1VDR
SCHEMBL1249431 0.77 VDR (0.55) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL69679 0.76 HDAC3 (0.69) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL10323651 0.74 MGAM (0.65) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL31307068 0.71 HDAC3 (0.64) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL69680 0.71 HDAC3 (0.63) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL6539230 0.71 HDAC3 (0.80) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL28092217 0.71 HDAC3 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1779820 0.70 HDAC3 (0.74) HDAC1HDAC8HDAC6HDAC3HDAC4

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 HDAC1 78/4885HDAC8 490/4885HDAC6 177/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 HDAC1 2324/4885HDAC8 3384/4885HDAC6 2954/4885

“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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