SCHEMBL789857

SCHEMBL789857

CCOC(c1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1)c1nc2cccc(C(=O)O)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2B P18089 1/20 0.36
SLC6A2 P23975 1/20 0.36
TBXAS1 P24557 1/20 0.36
HTR2C P28335 1/20 0.36
AGTR1 P30556 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 1/20 0.36
AGTR2 P50052 1/20 0.36
PDE3A Q14432 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
CMKLR1 Q99788 1/20 0.36
MLKL Q8NB16 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL4119807 0.88 DHODH (0.44) CMKLR1DHODH
SCHEMBL15540397 0.87 CMKLR1 (0.48) AGTR2LTB4R2CMKLR1
SCHEMBL844427 0.84 ABCB11 (0.38) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL9494117 0.80 KDM4E (0.38)
SCHEMBL3821755 0.79 AGTR2 (0.45) AGTR1PPARGAGTR2LTB4R2CMKLR1
SCHEMBL5746358 0.79 PPARG (0.34) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL3638790 0.77 AGTR1 (0.39) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL8836872 0.76 BRS3 (0.33) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL9291479 0.76 PARP1 (0.35) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL9491699 0.76 LMNA (0.35) CMKLR1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432996-B1 ADMINISTERING BENZIMIDAZOLE DERIVATIVE ANGIOTENSIN II ANTAGONIST, INDANE DERIVATIVE ANGIOTENSIN CONVERTING ENZYME INHIBITOR, AND PYRIDINE DERIVATIVE HMG-CO A REDUCTASE INHIBITOR TO TREAT PROSTPRANDIAL HYPERGLYCEMIA IN DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-13 US claimed
EP-0914158-A2 PHARMACEUTICAL COMBINATION CONTAINING A COMPOUND HAVING ANGIOTENSIN II AND ANTAGONISTIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 1999-05-12 EP claimed
WO-1997037688-A2 PHARMACEUTICAL COMBINATION CONTAINING A COMPOUND HAVING ANGIOTENSIN II AND ANTAGONISTIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-16 WO claimed
EP-4309673-A2 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE Bausch Health Ireland Limited (IE) 2024-01-24 EP disclosed
US-20240002440-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS JPMORGAN CHASE BANK, N.A. 2024-01-04 US disclosed
EP-3708179-B1 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE BAUSCH HEALTH IRELAND LTD (IE) 2023-10-04 EP disclosed
US-20200283480-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS BAUSCH HEALTH COMPANIES INC. (CA) 2020-09-10 US disclosed
EP-3065757-A2 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR DOWNREGULATION OF PRO-INFLAMMATORY CYTOKINES Synergy Pharmaceuticals Inc. (US) 2016-09-14 EP disclosed
EP-3004138-A2 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME Synergy Pharmaceuticals Inc. (US) 2016-04-13 EP disclosed
EP-2970384-A1 AGONISTS OF GUANYLATE CYCLASE AND THEIR USES Synergy Pharmaceuticals Inc. (US) 2016-01-20 EP disclosed
EP-2825188-A1 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE Synergy Pharmaceuticals Inc. (US) 2015-01-21 EP disclosed
WO-2009149279-A2 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS SYNERGY PHARMACEUTICALS INC. (US) 2009-12-10 WO disclosed
WO-2008151257-A2 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS SYNERGY PHARMACEUTICALS INC. (US) 2008-12-11 WO disclosed
WO-2008002971-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2008-01-03 WO disclosed
EP-1306088-B1 Combination of a benzimidazole having angiotensin-II antagonistic activity with a diuretic TAKEDA PHARMACEUTICAL (JP) 2007-09-05 EP disclosed
US-20040219208-A1 Sustained-release medicines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-04 US disclosed
EP-1452176-A1 INSULIN RESISTANCE IMPROVING AGENTS Takeda Chemical Industries, Ltd. (JP) 2004-09-01 EP disclosed
EP-0914158-A2 PHARMACEUTICAL COMBINATION CONTAINING A COMPOUND HAVING ANGIOTENSIN II AND ANTAGONISTIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 1999-05-12 EP disclosed
WO-1997037688-A2 PHARMACEUTICAL COMBINATION CONTAINING A COMPOUND HAVING ANGIOTENSIN II AND ANTAGONISTIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-16 WO disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US 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 (1 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-20040219208-A1 Sustained-release medicines ACE, AGTR2, AGT ABCB11 290/4885EGFR 2159/4885ERBB2 878/4885

“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.