SCHEMBL1160072

SCHEMBL1160072

Cc1nc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSP90AA1 P07900 1/20 0.59
ESR2 Q92731 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
KMT2A Q03164 1/20 0.54
PTGS2 P35354 3/20 0.51
PTGS1 P23219 2/20 0.51
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIK1 P39086 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50

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
SCHEMBL1160069 0.90 PTGS2 (0.51) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12430882 0.77 HSP90AA1 (0.69) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12909208 0.76 ALDH1A1 (1.00) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4875930 0.76 POLB (0.64) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL29924530 0.75 TDP1 (1.00) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1758956 0.75 TDP1 (1.00) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1160325 0.74 GRIN2D (0.45) SMN1; SMN2TDP1MEN1KMT2APTGS2
Hydrochloric Acid SCHEMBL7331913 0.74 TDP1 (0.97) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL27074031 0.74 HSP90AA1 (0.64) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL5931288 0.73 FLT1 (0.71) HPGDMEN1KMT2APTGS2PTGS1

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 11 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
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 POLB 192/4885RAB9A 3277/4885ALDH1A1 487/4885
US-20140024692-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD POLB 2157/4885RAB9A 3891/4885ALDH1A1 658/4885
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD POLB 2157/4885RAB9A 3891/4885ALDH1A1 658/4885

“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.