SCHEMBL3513494

SCHEMBL3513494

Cc1c(-c2cccnc2)n(CCCCCCCC(=O)O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 1.00
CYP11B2 P19099 1/20 0.56
FABP4 P15090 2/20 0.54
FABP5 Q01469 2/20 0.54
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PTGIR P43119 2/20 0.46

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
SCHEMBL11006075 1.00 TBXAS1 (1.00) TBXAS1CYP11B2FABP4FABP5MAPT
SCHEMBL11009473 1.00 TBXAS1 (1.00) TBXAS1CYP11B2FABP4FABP5MAPT
SCHEMBL11007597 0.99 TBXAS1 (1.00) TBXAS1CYP11B2FABP4FABP5MAPT
SCHEMBL11009385 0.91 TBXAS1 (0.85) TBXAS1CYP11B2FABP4FABP5MAPT
SCHEMBL11067365 0.89 TBXAS1 (0.79) TBXAS1CYP11B2MAPT
SCHEMBL11010003 0.89 TBXAS1 (0.79) TBXAS1CYP11B2MAPT
SCHEMBL11068112 0.89 TBXAS1 (0.79) TBXAS1CYP11B2MAPT
Hydrochloric Acid SCHEMBL7829663 0.88 TBXAS1 (0.78) TBXAS1CYP11B2
SCHEMBL11074372 0.88 TBXAS1 (0.78) TBXAS1CYP11B2ALDH1A1
SCHEMBL11006110 0.88 TBXAS1 (0.78) TBXAS1CYP11B2FABP4FABP5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242068-A4 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2007-04-25 EP claimed
US-20030050305-A1 Thromboxane inhibitors, compositions and methods of use NITROMED, INC. 2003-03-13 US claimed
EP-1242068-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION Nitromed, Inc. (US) 2002-09-25 EP claimed
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 WO claimed
WO-2001032167-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED, INC. (US) 2001-05-10 WO claimed
EP-0449764-A2 A method of reducing serum uric acid and/or increasing renal uric acid clearance with thromboxane synthetase inhibitor and/or thromboxane receptor antagonist CIBA-GEIGY AG (CH) 1991-10-02 EP claimed
US-5021448-A Method of reducing serum uric acid and/or increasing renal uric acid clearance with thromboxane synthetase inhibitor inhibitor and/or thromboxane receptor antagonist CIBA-GEIGY CORPORATION (US) 1991-06-04 US claimed
US-4962105-A SELECTED FROM BENAZEPRIL, BENAZEPRILAT, AND LIBENZAPRIL, BY ADMINISTERING IN COMBINATION SPECIFIC PYRIDYL INDOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1990-10-09 US claimed
US-4925869-A REACTIVATING ENZYME ACETYLCHOLINESTERASE INHIBITED BY LETHAL DOSE OF SOMAN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US claimed
US-4908380-A Substituted 1,3-dioxane ether derivative; thromboxane A2 inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-13 US claimed
EP-0300675-A2 Method for the improvement of cyclosporine therapy MERCK FROSST CANADA INC. (CA) 1989-01-25 EP claimed
EP-0080154-B1 N-SUBSTITUTED 2-PYRIDYL INDOLES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1985-08-28 EP claimed
US-4478842-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-10-23 US claimed
EP-0080154-A2 N-substituted 2-pyridyl indoles, process for their preparation, pharmaceutical compositions containing them, and their therapeutical use CIBA-GEIGY AG (CH) 1983-06-01 EP claimed
US-9834820-B2 Methods for the treatment and diagnosis of bone mineral density related diseases INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-12-05 US disclosed
EP-2227560-B1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES INSERM - INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2017-10-18 EP disclosed
US-20150104437-A1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES Universite De Paris (FR) 2015-04-16 US disclosed
US-4478842-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-10-23 US disclosed
US-4460777-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed
EP-0080154-A2 N-substituted 2-pyridyl indoles, process for their preparation, pharmaceutical compositions containing them, and their therapeutical use CIBA-GEIGY AG (CH) 1983-06-01 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 (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-20150104437-A1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES TBXAS1, TBXA2R, HPGDS TBXAS1 1/4885CYP11B2 1077/4885FABP4 3428/4885

“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.