SCHEMBL1706424

SCHEMBL1706424

[CH2]CCc1cc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.60
ASIC3 Q9UHC3 1/20 0.60
LOXL2 Q9Y4K0 1/20 0.60
AGXT P21549 1/20 0.55
ADRB2 P07550 1/20 0.55
ADRA1D P25100 2/20 0.45
MGLL Q99685 1/20 0.41
IDH1 O75874 1/20 0.40
BCL2L1 Q07817 1/20 0.40
CHRNA7 P36544 1/20 0.40
GLS O94925 1/20 0.40
CA2 P00918 1/20 0.39

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
SCHEMBL2098350 0.89 CYP2A6 (0.56) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2096518 0.87 CYP2A6 (0.55) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2091527 0.85 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL291668 0.83 CYP2A6 (0.70) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL23259460 0.80 CYP2A6 (0.60) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL4049448 0.80 CYP2A6 (0.60) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL6963172 0.80 CYP2A6 (0.60) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL6240752 0.80 CYP2A6 (0.60) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL4047968 0.80 CYP2A6 (0.60) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL1444780 0.80 CYP2A6 (0.60) CYP2A6ASIC3LOXL2AGXTADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
EP-3510028-A1 INDAZOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS Janssen Pharmaceutica NV (BE) 2019-07-17 EP disclosed
WO-2018048763-A1 INDAZOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 WO disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
CN-103459382-A Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC 2013-12-18 CN disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 (4 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 CYP2A6 3084/4885ASIC3 1037/4885LOXL2 3866/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP2A6 1119/4885ASIC3 211/4885LOXL2 3768/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP2A6 1153/4885ASIC3 1174/4885LOXL2 3512/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP2A6 3084/4885ASIC3 1037/4885LOXL2 3866/4885

“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.