SCHEMBL5748142

SCHEMBL5748142

CCc1[c]cc2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.39
TLR8 Q9NR97 5/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
ACHE P22303 1/20 0.38
CYP1A2 P05177 2/20 0.38
DDAH1 O94760 1/20 0.36
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
NOS2 P35228 1/20 0.33
BACE1 P56817 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9870736 0.85 ALDH1A1 (0.43) NCF1TLR8ALDH1A1HPGDMAPT
SCHEMBL17474324 0.82 TLR8 (0.47) TLR8CYP1A2KDM4E
SCHEMBL5747355 0.79 TLR8 (0.48) TLR8
SCHEMBL5749855 0.79 TLR8 (0.48) TLR8
SCHEMBL5748448 0.79 TLR8 (0.48) TLR8
SCHEMBL16720014 0.74 POLB (0.39) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL19359 0.72 CYP1A2 (0.46) NCF1ALDH1A1HPGDMAPTGLA
SCHEMBL8917079 0.72 MEN1 (0.46) TLR8ALDH1A1MAPTCYP1A2KDM4E
SCHEMBL21195871 0.72 TLR8 (0.46) TLR8ALDH1A1HPGDMAPTKDM4E
SCHEMBL10628102 0.72 ELANE (0.37) TLR8ALDH1A1HPGDMAPTGLA

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-20160311760-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS BAYLOR COLLEGE OF MEDICINE 2016-10-27 US disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
US-6057318-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR ACETHER SANOFI (FR) 2000-05-02 US disclosed
US-5891894-A 2-AMINO OXAZOLE DERIVATIVES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, INFLAMMATION, CARDIOVASCULAR DISORDERS, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 US disclosed
US-5891893-A 5-AMINO-1,2,4-OXA(OR THIA)DIAZOLES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, CARDIOVASCULAR DISEASES, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 US disclosed
US-5780468-A ANTAGONIST OF PLATELET ACTIVATING FACTOR SANOFI (FR) 1998-07-14 US disclosed
CN-1038930-C Azetidinone derivatives useful in preparation of carbapenem antibiotics SANKYO CO (JP) 1998-07-01 CN disclosed
EP-0845459-A1 Azetidinone derivatives useful in the preparation of carbapenem antibiotics Sankyo Company Limited (JP) 1998-06-03 EP disclosed
US-5719275-A REACTING SILYL ENOL ETHER WITH AZETIDINONE DERIVATIVE TO FORM INTERMEDIATE FOR PENICILLIN-TYPE ANTIBIOTIC SANKYO COMPANY, LIMITED (JP) 1998-02-17 US disclosed
US-5681951-A REACTING PENICILLIN DERIVATIVE HAVING SULFINYL OR SULFONYL GROUP IN 2 POSITION WITH SUBSTITUTED MERCAPTAN IN PRESENCE OF SALT OF GROUP IIA OR IIIA ELEMENT SANKYO COMPANY, LIMITED (JP) 1997-10-28 US disclosed
US-5654309-A KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US disclosed
US-5614624-A THIO SUBSTITUTED, ANTIBIOTICS, CHEMICAL INTERMEDIATES SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5541317-A PENICILLIN DERIVATIVES, CYCLIZATION OF ESTERS OR THIOESTERS SANKYO COMPANY, LIMITED (JP) 1996-07-30 US disclosed
US-5470855-A Anticoagulants SANOFI (FR) 1995-11-28 US disclosed
CN-1068108-A Be used to prepare the aza cyclo-butanone derivatives of carbapenem antibiotics SANKYO CO (JP) 1993-01-20 CN disclosed
EP-0516486-A2 Azetidinone derivatives useful in the preparation of carbapenem antibiotics Sankyo Company Limited (JP) 1992-12-02 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-20160311760-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS RYR2, RYR1, KCNN2 NCF1 2222/4885TLR8 4806/4885ALDH1A1 1280/4885

“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.