Sugi Predict

Sugi Predict / Compounds / SCHEMBL3298162

SCHEMBL3298162

SCHEMBL3298162

Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(C(C)(C)COCc3ccccc3)nc2c1C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR6 P50406 3/20 0.33
▸ HTR1D P28221 2/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.33
▸ MAPK8 P45983 2/20 0.33
▸ BTK Q06187 2/20 0.33
▸ MRGPRX2 Q96LB1 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ NAPEPLD Q6IQ20 1/20 0.31
▸ DPP4 P27487 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
Hydrochloric Acid SCHEMBL4797410 0.99 KDM4E (0.33) KDM4EMITFL3MBTL1HTR6HTR1D
SCHEMBL3297892 0.91 HTR1D (0.35) KDM4EHTR6HTR1DHTR3ATMEM97
SCHEMBL3302479 0.89 HTR6 (0.37) KDM4EMITFL3MBTL1HTR6HTR1D
SCHEMBL3295577 0.88 HTR1D (0.35) HTR6HTR1DHTR3ATMEM97MAPK8
Hydrochloric Acid SCHEMBL3301893 0.86 HTR1D (0.37) HTR6HTR1DHTR3ATMEM97MAPK8
Hydrochloric Acid SCHEMBL3297403 0.86 NAPEPLD (0.34) KDM4EHTR6HTR1DHTR3ATMEM97
SCHEMBL3294135 0.85 HTR1D (0.37) HTR6HTR1DHTR3ATMEM97MAPK8
SCHEMBL3297025 0.85 HTR1D (0.37) KDM4EHTR6HTR1DHTR3ATMEM97
SCHEMBL3301003 0.83 HTR6 (0.36) HTR6HTR1DHTR3ATMEM97MAPK8
SCHEMBL3293756 0.83 HTR1D (0.36) HTR6HTR1DHTR3ATMEM97MAPK8

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 KDM4E 1665/4885MITF 937/4885L3MBTL1 3869/4885

“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.