SCHEMBL1160137

SCHEMBL1160137

CCCCS(=O)(=O)NC(=O)c1ccc2nc(CC)n(Cc3ccc(-c4ccccc4)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.53
PTPN1 P18031 1/20 0.52
AGTR1 P30556 6/20 0.49
AGTR2 P50052 5/20 0.48

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
SCHEMBL1159886 0.97 PPARG (0.56) PPARGPTPN1AGTR1AGTR2
SCHEMBL1160428 0.93 PPARG (0.53) PPARGPTPN1AGTR1AGTR2
SCHEMBL1160063 0.91 PPARG (0.50) PPARGPTPN1AGTR1AGTR2
SCHEMBL1160263 0.91 PTPN1 (0.47) PPARGPTPN1AGTR1AGTR2
SCHEMBL1178788 0.91 PTGER4 (0.50) PPARGAGTR1AGTR2
SCHEMBL1160011 0.90 PPARG (0.65) PPARGPTPN1AGTR1AGTR2
SCHEMBL1160142 0.86 PPARG (0.50) PPARGAGTR1AGTR2
SCHEMBL6167816 0.85 AGTR1 (0.54) PPARGAGTR1AGTR2
SCHEMBL6169485 0.84 PPARG (0.49) PPARGAGTR1AGTR2
SCHEMBL5882605 0.84 PTPN1 (0.53) PPARGPTPN1AGTR1AGTR2

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 17 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 claimed
EP-2459192-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA Aestus Therapeutics, Inc. (US) 2012-06-06 EP claimed
WO-2011014600-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA AESTUS THERAPEUTICS, INC. (US) 2011-02-03 WO claimed
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2011-02-03 US claimed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP claimed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US claimed
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
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2011-02-03 US disclosed
WO-2011014600-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA AESTUS THERAPEUTICS, INC. (US) 2011-02-03 WO 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
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 1181/4885PTPN1 3982/4885AGTR1 4001/4885
US-20140024692-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD PPARG 1/4885PTPN1 3953/4885AGTR1 1983/4885
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD PPARG 1/4885PTPN1 3953/4885AGTR1 1983/4885

“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.