SCHEMBL3294262

SCHEMBL3294262

N#Cc1cc(Br)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
GRIA1 P42261 2/20 0.49
GRIA2 P42262 2/20 0.49
GRIA3 P42263 2/20 0.49
GRIA4 P48058 2/20 0.49
GRM6 O15303 1/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
APEX1 P27695 1/20 0.47
BLM P54132 1/20 0.47
VCAM1 P19320 5/20 0.47
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
GPR35 Q9HC97 1/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL25176657 0.93 MAPT (0.49) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL406002 0.85 MAPT (0.54) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL31438016 0.79 MAPT (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL1343684 0.79 MAPT (0.49) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL10306700 0.79 VCAM1 (0.56) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL28458967 0.79 TDP1 (0.51) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL17304026 0.79 GRIA1 (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL12443132 0.78 MAPT (0.50) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL310906 0.77 ATM (0.55) MAPTCYP1A2TDP1CYP2C9VCAM1
SCHEMBL29740055 0.77 ATM (0.55) MAPTCYP1A2TDP1CYP2C9VCAM1

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 MAPT 866/4885GRIA1 1906/4885GRIA2 3680/4885

“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.