SCHEMBL2090744

SCHEMBL2090744

COc1ccc(CC2CCN(c3cc([O])cc4ncsc34)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACP1 P24666 3/20 0.38
DRD4 P21917 1/20 0.37
FFAR1 O14842 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
HTR1A P08908 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL5016235 0.83 RAB9A (0.46) MEN1SMN1; SMN2DRD4SIGMAR1
SCHEMBL27644466 0.71 DRD2 (0.41) HTR1A
SCHEMBL2088515 0.69 NTRK1 (0.38) FFAR1
SCHEMBL13279147 0.69 HRH4 (0.61) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL2093517 0.68 ACP1 (0.43) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL2093990 0.68 ADORA2A (0.35) HRH4HRH3
SCHEMBL12929417 0.66 HTR1A (0.51) MEN1KMT2ASMN1; SMN2DRD4SIGMAR1
SCHEMBL2091003 0.66 RPS6KB1 (0.38) SMN1; SMN2
SCHEMBL622656 0.66 IDO1 (0.50) MEN1KMT2ASMN1; SMN2
SCHEMBL17966723 0.65 MEN1 (0.53) GRIN1GRIN2BMEN1KMT2ASMN1; 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 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 GRIN1 344/4885GRIN2B 269/4885MEN1 4525/4885

“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.