SCHEMBL2089508

SCHEMBL2089508

[CH2]Cc1cc2ccc(F)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.40
GFER P55789 2/20 0.38
AXL P30530 1/20 0.38
ASIC3 Q9UHC3 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
PKM P14618 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.34
NPC1 O15118 7/20 0.33
RAB9A P51151 7/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
AGXT P21549 1/20 0.33

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
SCHEMBL6957547 0.85 CYP2A6 (0.58) CYP2A6GFERAXLASIC3LOXL2
SCHEMBL2097026 0.85 CYP2A6 (0.40) CYP2A6GFERAXLASIC3LOXL2
SCHEMBL13978793 0.81 CYP2A6 (0.58) CYP2A6GFERAXLASIC3LOXL2
SCHEMBL3470157 0.81 GFER (0.38) CYP2A6GFERAXLASIC3LOXL2
SCHEMBL2091638 0.80 GFER (0.33) CYP2A6GFERAXLASIC3LOXL2
SCHEMBL2089675 0.77 CYP2A6 (0.40) CYP2A6GFERASIC3LOXL2ALDH1A1
SCHEMBL28156001 0.77 CYP2A6 (0.40) CYP2A6ASIC3LOXL2ALDH1A1MAPT
SCHEMBL13907564 0.77 PTPN2 (0.43) CYP2A6GFERAXLASIC3LOXL2
SCHEMBL291668 0.74 CYP2A6 (0.70) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL17001366 0.74 GFER (0.50) CYP2A6GFERAXLALDH1A1MAPT

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 CYP2A6 1153/4885GFER 700/4885AXL 1962/4885

“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.