SCHEMBL2095573

SCHEMBL2095573

[CH2]CCCCc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HRH1 P35367 2/20 0.65
CYP2A6 P11509 1/20 0.63
TBXAS1 P24557 7/20 0.59
CHRNA7 P36544 2/20 0.57
HRH4 Q9H3N8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49

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
SCHEMBL16289588 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL16289025 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL8497495 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL2090566 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL2093515 0.94 CYP2A6 (0.66) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485675 0.89 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL724788 0.89 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL8658187 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485667 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485634 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106604909-B The non-aromatic cyclosubstituted triterpenoid that haloalkylsubstituents are had at 3 with HIV maturation inhibitory activity VIIV保健英国第四有限公司 2019-02-15 CN disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-9382254-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-07-05 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. GALAPAGOS NV (BE) 2015-01-01 US disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0524439-A1 Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-01-27 EP disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
EP-0035228-B1 TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP disclosed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 TDP1 4674/4885L3MBTL1 369/4885HRH1 127/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 TDP1 4654/4885L3MBTL1 39/4885HRH1 37/4885
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. CFTR, ABCC3, ABCC5 TDP1 4730/4885L3MBTL1 3473/4885HRH1 1506/4885

“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.