SCHEMBL2094286

SCHEMBL2094286

COc1ccc(CNCc2cs[c]n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.42
DHFR P00374 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PKM P14618 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL2090889 0.83 CHRM2 (0.42) CHRM2ALDH1A1HTTRAB9A
SCHEMBL2095035 0.82 SCN8A (0.41) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL27344542 0.81 LTA4H (0.46) POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL2096359 0.81 MAPT (0.47) GAAPOLBALDH1A1KDM4EHTT
SCHEMBL2096136 0.80 LMNA (0.51) CHRM2ALDH1A1KDM4E
SCHEMBL2093728 0.80 LMNA (0.44) POLBHDAC1HDAC2
SCHEMBL2091265 0.80 SMN1; SMN2 (0.42) CHRM2GAAPOLBALDH1A1KDM4E
SCHEMBL2094917 0.78 NPC1 (0.50) GAATP53RAB9AHDAC3HDAC1
SCHEMBL2096405 0.78 RORC (0.38) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL121529 0.77 CHRM2 (0.70) CHRM2GAAPOLBALDH1A1KDM4E

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 CHRM2 776/4885GAA 3982/4885TP53 4732/4885

“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.