SCHEMBL3293605

SCHEMBL3293605

Cc1c(-c2cccc([N+](=O)[O-])c2)c(N2CC[C@H](N(C)C)C2)c2oc(C(C)(C)C)nc2c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
WDR5 P61964 1/20 0.34
JAK2 O60674 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM1A O60341 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1D P28221 2/20 0.31
HTR3A P46098 2/20 0.31
HTR6 P50406 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
MAPK8 P45983 2/20 0.31
BTK Q06187 2/20 0.31
MRGPRX2 Q96LB1 2/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL3295076 0.87 PDCD1 (0.35) KDM4EPDCD1CD274ALDH1A1KDM1A
SCHEMBL4314510 0.87 PDCD1 (0.35) KDM4EPDCD1CD274ALDH1A1KDM1A
SCHEMBL3296228 0.87 PDCD1 (0.35) JAK2PDCD1CD274KDM1AHRH4
Hydrochloric Acid SCHEMBL3301893 0.86 HTR1D (0.37) USP30PDCD1CD274KDM1AHRH4
SCHEMBL3296327 0.86 PDCD1 (0.37) USP30KDM4EPDCD1CD274HRH4
SCHEMBL3297025 0.81 HTR1D (0.37) KDM4EPDCD1CD274ALDH1A1HRH4
SCHEMBL3294135 0.81 HTR1D (0.37) PDCD1CD274HRH4HTR1DHTR3A
SCHEMBL3297630 0.80 ADORA2A (0.33) KDM4EALDH1A1HTR1DHTR3AHTR6
SCHEMBL3295971 0.80 ALDH1A1 (0.34) KDM4EPDCD1CD274ALDH1A1HRH4
SCHEMBL3295304 0.79 MCHR1 (0.36) USP30PDCD1CD274KDM1AKMT2A

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 USP30 3420/4885WDR5 324/4885JAK2 2837/4885

“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.