SCHEMBL2095205

SCHEMBL2095205

[CH2]Oc1ccc(-n2cncn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP2A6 P11509 1/20 0.46
FBP1 P09467 1/20 0.44
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
PPARD Q03181 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL2095209 0.81 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2097220 0.80 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2095967 0.80 CYP2A6 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7016284 0.78 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16112102 0.78 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL676377 0.78 SMN1; SMN2 (0.60) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13985747 0.77 CYP1A2 (0.77) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16111764 0.75 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL14863614 0.74 CYP1A2 (0.72) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9451295 0.74 CYP1A2 (0.72) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US 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
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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-1885349-A2 SULPHAMIDES FOR TREATMENT OF CANCER Merck Sharp & Dohme Limited (GB) 2008-02-13 EP disclosed
EP-1268412-B8 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2007-02-21 EP 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
WO-2006123185-A2 SULPHAMIDES FOR TREATMENT OF CANCER MERCK SHARP & DOHME LIMITED (GB) 2006-11-23 WO disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US 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
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 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
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP disclosed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 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 (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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT CYP1A2 1359/4885CYP2D6 1632/4885CYP2C9 1086/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP1A2 420/4885CYP2D6 743/4885CYP2C9 2206/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 CYP1A2 2373/4885CYP2D6 4150/4885CYP2C9 3363/4885

“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.