Sugi Predict

Sugi Predict / Compounds / SCHEMBL3295652

SCHEMBL3295652

SCHEMBL3295652

CCOC(=O)c1nc2c(C#N)c(C)c(-c3ccccc3)c(N3CC[C@H](N(C)C)C3)c2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ KDM4E B2RXH2 8/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36
▸ MCHR1 Q99705 2/20 0.35

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
SCHEMBL3294906 0.89 MCHR1 (0.35) CTSLCTSBCTSSCTSKMCHR1
SCHEMBL3296504 0.89 MCHR1 (0.36) CTSLCTSBCTSSCTSKMCHR1
SCHEMBL3302307 0.89 MCHR1 (0.36) CTSLCTSBCTSSCTSKMCHR1
SCHEMBL3295256 0.89 KDM4E (0.43) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL3295370 0.88 MCHR1 (0.34) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL3292474 0.88 MCHR1 (0.35) ALDH1A1NPSR1CTSLCTSBCTSS
SCHEMBL3298068 0.87 MCHR1 (0.39) CTSLCTSBCTSSCTSKMCHR1
SCHEMBL3295324 0.87 MCHR1 (0.34) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL3299199 0.87 MCHR1 (0.34) CTSLCTSBCTSSCTSKMCHR1
SCHEMBL3300777 0.86 NAPEPLD (0.34) CTSLCTSBCTSSCTSKMCHR1

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 ALDH1A1 835/4885L3MBTL1 3869/4885KDM4E 1665/4885

“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.