SCHEMBL2089553

SCHEMBL2089553

[CH2]Oc1c(-n2nnc3ccccc32)cc(-n2nnc3ccccc32)cc1-n1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
SLC9A1 P19634 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL2089555 0.85 KCNMA1 (0.50) KCNMA1SMN1; SMN2POLBRAB9AKDM4E
SCHEMBL2092781 0.82 POLB (0.50) KCNMA1SMN1; SMN2POLBRAB9AKDM4E
SCHEMBL12204569 0.80 RAB9A (0.56) KCNMA1SMN1; SMN2POLBRAB9AKDM4E
SCHEMBL2091200 0.77 SMN1; SMN2 (0.48) KCNMA1SMN1; SMN2POLBRAB9AKDM4E
SCHEMBL2096961 0.76 SMN1; SMN2 (0.50) KCNMA1SMN1; SMN2POLBRAB9AKDM4E
SCHEMBL2095765 0.76 KCNMA1 (0.58) KCNMA1SMN1; SMN2POLBRAB9AKDM4E
SCHEMBL12204565 0.74 SMN1; SMN2 (0.62) KCNMA1SMN1; SMN2POLBRAB9AKDM4E
SCHEMBL2092784 0.74 SMN1; SMN2 (0.59) KCNMA1SMN1; SMN2POLBRAB9AKDM4E
SCHEMBL28678482 0.73 HDAC3 (0.55) SMN1; SMN2RAB9AKDM4ENPC1LMNA
SCHEMBL165333 0.73 SMN1; SMN2 (0.71) KCNMA1SMN1; SMN2POLBRAB9AKDM4E

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 KCNMA1 3456/4885SMN1; SMN2 3787/4885POLB 757/4885

“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.