SCHEMBL3296136

SCHEMBL3296136

COC(=O)c1cc(Br)c(F)c([N+](=O)[O-])c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
SOS1 Q07889 1/20 0.43
PKM P14618 1/20 0.43
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 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
SCHEMBL12869693 0.84 SMN1; SMN2 (0.49) SMN1; SMN2PKMGRIN2DGRIN3BGRIN1
SCHEMBL18641437 0.84 SOS1 (0.44) SMN1; SMN2SOS1PKMGRIN2DGRIN3B
SCHEMBL31056505 0.80 SMN1; SMN2 (0.50) SMN1; SMN2PKMGRIN2DGRIN3BGRIN1
SCHEMBL27816651 0.80 SMN1; SMN2 (0.50) SMN1; SMN2PKMGRIN2DGRIN3BGRIN1
SCHEMBL26927384 0.79 GRIN2D (0.51) SMN1; SMN2PKMGRIN2DGRIN3BGRIN1
SCHEMBL28418045 0.79 SOS1 (0.44) SMN1; SMN2SOS1PKMKDM4EALDH1A1
SCHEMBL12566398 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PKMGRIN2DGRIN3BGRIN1
SCHEMBL3298748 0.77 KDM4E (0.50) SOS1PKMKDM4EALDH1A1HPGD
SCHEMBL12869691 0.76 SMN1; SMN2 (0.41) SMN1; SMN2PKMGRIN2DGRIN3BGRIN1
SCHEMBL28878161 0.76 SMN1; SMN2 (0.41) SMN1; SMN2PKMGRIN2DGRIN3BGRIN1

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-7737166-B2 Antifungal bicyclic hetero ring compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-06-15 US disclosed
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-04 US disclosed
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 EP 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-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides CTPS1, TPP1, STS SMN1; SMN2 3267/4885SOS1 2013/4885PKM 1135/4885

“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.