SCHEMBL1344671

SCHEMBL1344671

[CH2]COc1ccc(C(N)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 20/20 0.66
PARP15 Q460N3 7/20 0.59
PARP4 Q9UKK3 2/20 0.59
PARP14 Q460N5 2/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
PARP16 Q8N5Y8 1/20 0.59
PARP11 Q9NR21 1/20 0.59
PARP2 Q9UGN5 3/20 0.58
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
PARP1 P09874 1/20 0.55
MAOB P27338 2/20 0.54

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
SCHEMBL1109845 0.84 PARP10 (0.68) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL28067530 0.81 PARP10 (0.68) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL9243500 0.81 PKM (0.62) ALDH1A1CA1CA2
SCHEMBL11099690 0.79 PARP10 (0.66) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL27925919 0.79 PARP10 (0.66) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL27526581 0.79 L3MBTL1 (0.42) PARP10ALDH1A1MAOB
SCHEMBL13462623 0.79 PARP10 (0.66) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL1715535 0.79 PRSS1 (0.70)
SCHEMBL29960960 0.79 PARP10 (1.00) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL27916544 0.79 PARP10 (0.66) PARP10PARP15PARP4PARP14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063093-B2 Derivatives of 5-(halo)alkanoyl-6-hydroxy- benozofuran, benzothiophene, or indole; autoimmune diseases; systemic lupus erythematosis, rheumatoid arthritis, multiple sclerosis and psoriasis, transplant rejection; antiproliferative, anticarcinogenic, antidiabetic, antiinflammatory and antiulcer agents HARVEY ANDREW J (AU) 2011-11-22 US claimed
US-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof HARVEY ANDREW J 2008-09-11 US claimed
WO-2006096911-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF HARVEY ANDREW J (AU) 2006-09-21 WO claimed
US-4001421-A THIAZOLE CARDIOVASCULAR AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-04 US claimed
US-8063093-B2 Derivatives of 5-(halo)alkanoyl-6-hydroxy- benozofuran, benzothiophene, or indole; autoimmune diseases; systemic lupus erythematosis, rheumatoid arthritis, multiple sclerosis and psoriasis, transplant rejection; antiproliferative, anticarcinogenic, antidiabetic, antiinflammatory and antiulcer agents HARVEY ANDREW J (AU) 2011-11-22 US disclosed
US-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof HARVEY ANDREW J 2008-09-11 US disclosed
CN-1599731-A Benzothiazepine derivatives ASTRAZENECA AB (SE) 2005-03-23 CN disclosed
US-4604481-A Compounds for treatment or prophylaxis of cardiac disorders AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-08-05 US disclosed
US-4405642-A BETA-BLOCKING AROMATIC ESTER COMPOUND AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1983-09-20 US disclosed
US-4391980-A FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1983-07-05 US disclosed
EP-0065964-A4 METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-04-06 EP disclosed
EP-0065964-A1 METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1982-12-08 EP disclosed
US-4294966-A SALT FORMATION CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
US-4289883-A ADRENERGIC BLOCKING AGENTS OF EXCELLENT CARDIOSELECTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-15 US disclosed
US-4210753-A TREATMENT OF CARDIAC DISORDERS AND CHRONIC LUNG DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-07-01 US disclosed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 EP disclosed
US-4161530-A CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-4147869-A ADRENERGIC BLOCKING AGENTS FOR TREATMENT OF ANGINA PECTORIS, ARRHYTHMIA AND HYPERTENSION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1979-04-03 US disclosed
US-4089865-A Certain thiazole compounds SYNTEX (U.S.A.) INC. (US) 1978-05-16 US disclosed
US-4001421-A THIAZOLE CARDIOVASCULAR AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-04 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-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof KCNAB1, KCNB1, KCNMB1 PARP10 2309/4885PARP15 2584/4885PARP4 3260/4885

“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.