SCHEMBL3299399

SCHEMBL3299399

CCCC[Sn](CCCC)(CCCC)C1=CC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 2/20 0.34
BTK Q06187 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
KDM1A O60341 1/20 0.33
GAA P10253 2/20 0.33
EPHX2 P34913 1/20 0.32
EPHX1 P07099 1/20 0.32
MERTK Q12866 1/20 0.32

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
SCHEMBL9250424 0.93 NFKB1 (0.40) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL10413343 0.80 NFKB1 (0.49) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL3295361 0.75 NFKB1 (0.34) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL6283764 0.73 NFKB1 (0.40) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL6283768 0.71 NFKB1 (0.38) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL6280298 0.71 NFKB1 (0.42) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL17467742 0.70 NFKB1 (0.49) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL17467812 0.69 NFKB1 (0.48) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL15434184 0.69 NFKB1 (0.48) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL17467814 0.69 NFKB1 (0.48) NFKB1NFKB2RELAKMT2AALDH1A1

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 6 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
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed
US-4945160-A Preparation of certain 7-substituted quinolones WARNER-LAMBERT COMPANY (US) 1990-07-31 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 (2 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 NFKB1 1909/4885NFKB2 3064/4885RELA 2659/4885
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 NFKB1 2415/4885NFKB2 2073/4885RELA 2512/4885

“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.