SCHEMBL3296361

SCHEMBL3296361

CCOC(=O)CCCNc1nc2c(C#N)c(C)c(-c3ccccc3)c(N3CC[C@H](N(C)C)C3)c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
TOP2A P11388 1/20 0.37
PDE5A O76074 1/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 3/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCHR1 Q99705 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FAAH O00519 2/20 0.33
AURKA O14965 1/20 0.33
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3295259 0.92 MCHR1 (0.35) MCHR1
SCHEMBL3295453 0.90 MCHR1 (0.34) HPGDTSHRALDH1A1HSD17B10MCHR1
SCHEMBL3294284 0.89 MCHR1 (0.36) MCHR1
SCHEMBL3300938 0.88 MCHR1 (0.33) MCHR1
SCHEMBL3295652 0.83 ALDH1A1 (0.39) HPGDTSHRALDH1A1MAPTHSD17B10
SCHEMBL3295256 0.83 KDM4E (0.43) GAAHPGDTSHRALDH1A1MAPT
SCHEMBL3297029 0.82 HTR1D (0.38) MCHR1
SCHEMBL3295810 0.82 HTR1D (0.38) MCHR1
SCHEMBL3295132 0.80 NAPEPLD (0.33) MCHR1FAAH
SCHEMBL3296134 0.80 HTR1D (0.35) MCHR1

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 ELANE 2866/4885TOP2A 927/4885PDE5A 889/4885

“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.