SCHEMBL3248338

SCHEMBL3248338

O=C(O)c1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)n2CCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.53
▸ EHMT1 Q9H9B1 1/20 0.53
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ IRAK4 Q9NWZ3 5/20 0.45
▸ CLK2 P49760 3/20 0.43
▸ CLK4 Q9HAZ1 3/20 0.43
▸ ITK Q08881 2/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ CSNK1D P48730 2/20 0.43
▸ IRAK1 P51617 2/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ MST1R Q04912 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ RPS6KA5 O75582 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ PHKG2 P15735 1/20 0.43
▸ MARK3 P27448 1/20 0.43

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
SCHEMBL3128582 0.93 EHMT2 (0.50) EHMT2EHMT1HDAC1HDAC8IRAK4
SCHEMBL3128772 0.90 EHMT2 (0.53) EHMT2EHMT1IRAK4ITKADORA2A
SCHEMBL16497018 0.89 EHMT2 (0.51) EHMT2EHMT1IRAK4ITKADORA2A
SCHEMBL3131137 0.88 EHMT2 (0.49) EHMT2EHMT1ITKJAK2JAK1
SCHEMBL3121260 0.88 ADORA2A (0.55) EHMT2EHMT1ITKADORA2APTGER4
SCHEMBL16496536 0.88 EHMT2 (0.50) EHMT2EHMT1HDAC1IRAK4ITK
SCHEMBL16496498 0.87 EHMT2 (0.49) EHMT2EHMT1IRAK4ADORA2AKIF11
SCHEMBL3118396 0.86 EHMT2 (0.48) EHMT2EHMT1IRAK4ADORA2AJAK2
SCHEMBL3131920 0.85 KMT2A (0.50) EHMT2EHMT1PTGER4KIF11STING1
SCHEMBL3132010 0.85 PTGER4 (0.53) EHMT2EHMT1IRAK4ADORA2APTGER4

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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US claimed
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
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 EHMT2 2665/4885EHMT1 2545/4885HDAC1 78/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 EHMT2 4029/4885EHMT1 2891/4885HDAC1 2324/4885

“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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