SCHEMBL1160409

SCHEMBL1160409

CCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(OCc4ccccc4)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.59
RORC P51449 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
AR P10275 1/20 0.46
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
GABRA5 P31644 1/20 0.41
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 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
SCHEMBL1160276 0.91 PPARG (0.62) PPARGRORCHDAC1HDAC6AGTR1
SCHEMBL6301071 0.91 PPARG (0.70) PPARGRORCHDAC1HDAC6AR
SCHEMBL1159903 0.90 PPARG (0.65) PPARGRORCHDAC1HDAC6AGTR1
SCHEMBL1159998 0.90 PPARG (0.48) PPARGARAGTR1AGTR2ITGB3
SCHEMBL6308118 0.89 PPARG (0.70) PPARGRORCHDAC1HDAC6AGTR1
SCHEMBL6470764 0.89 PPARG (0.74) PPARGRORCHDAC1HDAC6AR
SCHEMBL1160378 0.88 PPARG (0.65) PPARGRORCHDAC1HDAC6AGTR1
SCHEMBL1160011 0.88 PPARG (0.65) PPARGRORCHDAC1HDAC6AGTR1
SCHEMBL7651430 0.87 PPARG (0.74) PPARGRORCHDAC1HDAC6HDAC3
SCHEMBL1160049 0.86 PPARG (0.63) PPARGRORCHDAC1HDAC6AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024692-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2014-01-23 US disclosed
US-8563589-B2 Methods of treating neuropathic pain with benzimidazole derivative agonists of PPARgamma SAMEEVE CORP 2013-10-22 US disclosed
EP-2459192-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA Aestus Therapeutics, Inc. (US) 2012-06-06 EP disclosed
WO-2011014600-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA AESTUS THERAPEUTICS, INC. (US) 2011-02-03 WO disclosed
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2011-02-03 US disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
CN-1211238-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1999-03-17 CN disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP 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 (3 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 PPARG 1181/4885RORC 2268/4885HDAC1 222/4885
US-20140024692-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD PPARG 1/4885RORC 535/4885HDAC1 368/4885
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD PPARG 1/4885RORC 535/4885HDAC1 368/4885

“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.