SCHEMBL2089963

SCHEMBL2089963

COc1ccc(-c2ccno2)cc1-c1ccno1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.44
NOTUM Q6P988 1/20 0.44
MAPT P10636 7/20 0.44
TP53 P04637 2/20 0.44
PDE4A P27815 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP19A1 P11511 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 1/20 0.43
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2089962 0.83 NOTUM (0.44) AAK1NOTUMMAPTTP53CYP1A2
SCHEMBL7105387 0.82 NPC1 (0.49) AAK1MAPTTP53CYP1A2CYP19A1
SCHEMBL2096519 0.79 EPHX2 (0.44) AAK1NOTUMMAPTTP53CYP1A2
SCHEMBL2093729 0.77 CYP1A2 (0.62) TP53CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL21609042 0.76 MAPT (0.49) NOTUMMAPTTP53LMNA
SCHEMBL29632631 0.75 CYP1A2 (0.52) TP53CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL28166622 0.74 P2RX3 (0.39) AAK1MAPTCYP1A2CYP19A1CYP2C9
SCHEMBL4098150 0.74 CYP1A2 (0.48) NOTUMMAPTTP53CYP1A2CYP19A1
SCHEMBL9289178 0.73 ACHE (0.46) AAK1MAPTCYP1A2CYP19A1CYP2C9
SCHEMBL31418310 0.73 EPHX2 (0.40) EPHX2KDM4EALDH1A1SMN1; SMN2HPGD

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 3 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

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 AAK1 2725/4885NOTUM 4043/4885MAPT 4299/4885

“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.