SCHEMBL2093497

SCHEMBL2093497

[O]c1ccc2c(N3CCC(CCCCCc4ccccc4)CC3)ccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KCNH2 Q12809 2/20 0.40
DRD3 P35462 3/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ACHE P22303 1/20 0.39
FAAH O00519 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2089595 0.91 NMT1 (0.46) NMT1KCNH2HRH3ACHEFAAH
SCHEMBL28761502 0.87 KCNH2 (0.52) NMT1KCNH2DRD3ACHEDRD2
SCHEMBL27645178 0.82 ADRB2 (0.51) NMT1KCNH2DRD3ACHEDRD2
SCHEMBL27645112 0.79 NMT1 (0.43) NMT1KCNH2DRD3HRH3ACHE
SCHEMBL2090832 0.76 ADRB2 (0.49) KDM4EDRD3HRH3DRD2HTR6
SCHEMBL2096547 0.76 SLC18A3 (0.41) NMT1HRH3ACHEFAAHSLC18A3
SCHEMBL27645182 0.75 NMT1 (0.44) NMT1KDM4EKCNH2DRD3HRH3
SCHEMBL27666211 0.75 NMT1 (0.44) NMT1KDM4EKCNH2DRD3HRH3
SCHEMBL2097959 0.73 NPC1 (0.41) ALDH1A1PKMSMN1; SMN2KDM4EGAA
SCHEMBL2096034 0.72 ACHE (0.41) KDM4EGAAKCNH2HRH3ACHE

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 NMT1 1009/4885ALDH1A1 412/4885PKM 3041/4885

“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.