SCHEMBL2095969

SCHEMBL2095969

COc1cccc(-n2cncn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2A6 P11509 1/20 0.50
MAOB P27338 1/20 0.47
MAOA P21397 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.46
FGFR1 P11362 1/20 0.45
MGLL Q99685 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PI4KA P42356 1/20 0.43

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
SCHEMBL7460963 0.84 MAPT (0.41) NOTUMALDH1A1HPGDKMT2AHSD17B10
SCHEMBL11926858 0.83 CYP2A6 (0.62) ALDH1A1CYP2A6CYP1A2CYP2D6CYP2C9
SCHEMBL2095967 0.83 CYP2A6 (0.50) NOTUMALDH1A1HPGDKMT2AHSD17B10
SCHEMBL2095209 0.80 CYP1A2 (0.63) ALDH1A1HPGDCYP2A6MAOBMAOA
SCHEMBL9454459 0.79 CYP2A6 (0.53) ALDH1A1KMT2AHSD17B10CYP2A6CYP1A2
SCHEMBL13666136 0.79 CYP2C9 (0.74) ALDH1A1KMT2ACYP2A6CYP1A2CYP2D6
SCHEMBL21893497 0.78 CYP1A2 (0.45) ALDH1A1HPGDKMT2AHSD17B10CYP2A6
SCHEMBL2356727 0.77 CYP1A2 (0.44) ALDH1A1HPGDKMT2AHSD17B10CYP2A6
SCHEMBL29891238 0.77 CYP1A2 (0.44) ALDH1A1HPGDKMT2AHSD17B10CYP2A6
SCHEMBL30038775 0.77 CYP1A2 (0.44) ALDH1A1HPGDKMT2AHSD17B10CYP2A6

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 9 patents. 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
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-1171484-A1 PROCESS FOR PRODUCING POLYOLEFINS EASTMAN CHEMICAL COMPANY (US) 2002-01-16 EP disclosed
EP-1171485-A1 PROCESS FOR PRODUCING POLYOLEFINS EASTMAN CHEMICAL COMPANY (US) 2002-01-16 EP disclosed
WO-2000058372-A1 PROCESS FOR PRODUCING POLYOLEFINS EASTMAN CHEMICAL COMPANY (US) 2000-10-05 WO disclosed
WO-2000058371-A1 PROCESS FOR PRODUCING POLYOLEFINS EASTMAN CHEMICAL COMPANY (US) 2000-10-05 WO disclosed
EP-0986544-A1 DIPHENYL-TRIAZOLE DERIVATIVES AND THEIR USE AS ANTI-GESTATIVE, IMMUNO-SUPPRESSANT AND ANTI-TUMORAL AGENTS Geange Ltd. (IE) 2000-03-22 EP disclosed
WO-1998055463-A1 DIPHENYL-TRIAZOLE DERIVATIVES AND THEIR USE AS ANTI-GESTATIVE, IMMUNO-SUPPRESSANT AND ANTI-TUMORAL AGENTS GEANGE LTD. (IE) 1998-12-10 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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NOTUM 4043/4885ALDH1A1 412/4885HPGD 1951/4885

“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.