SCHEMBL2095202

SCHEMBL2095202

Cc1ccc2cccsc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2B6 P20813 3/20 0.50
CYP2E1 P05181 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 4/20 0.38
PGR P06401 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS2 P35354 2/20 0.37
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.34
NFKB1 P19838 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL13130594 0.82 CYP2A6 (0.61) CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1
SCHEMBL1821918 0.81 CYP2A6 (0.60) CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1
SCHEMBL19861970 0.79 CYP2A6 (0.53) CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1
SCHEMBL8076141 0.76 CYP2A6 (0.55) CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1
SCHEMBL14640117 0.73 CYP2A6 (0.52) CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1
SCHEMBL2122531 0.73 CYP2A6 (0.58) CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1
SCHEMBL28479595 0.73 CYP2A6 (0.52) CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1
SCHEMBL693906 0.73 CYP2A6 (0.59) CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1
SCHEMBL10407505 0.73 CYP2A6 (0.52) CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1
SCHEMBL1425244 0.73 CYP2A6 (0.62) CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP 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
EP-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 EP 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
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 WO disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 US 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
EP-0702013-B1 Imidazopyridines MERCK PATENT GMBH (DE) 2001-06-13 EP disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed
US-5684015-A ANGIOTENSIN ANTAGONIST AS HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-11-04 US disclosed
EP-0702013-A2 Imidazopyridines MERCK PATENT GmbH (DE) 1996-03-20 EP disclosed
US-5438063-A Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-01 US disclosed
EP-0657454-A1 Imidazopyridazines being angiotensin II antagonists MERCK PATENT GmbH (DE) 1995-06-14 EP disclosed
US-5389642-A Exhibit antagonistic properties toward angiotensin(II); useful for treatment of hypertensioni, aldosteronism, cardiac insufficiency, increased intraocular pressure and disorders of the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0628556-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-12-14 EP disclosed
EP-0602521-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-06-22 EP disclosed
EP-0547514-A2 Imidazopyridine derivatives with angiotensin-II antagonist properties MERCK PATENT GmbH (DE) 1993-06-23 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 (2 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-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 CYP2A6 97/4885CYP3A4 264/4885CYP2C19 442/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP2A6 1153/4885CYP3A4 1734/4885CYP2C19 1894/4885

“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.