SCHEMBL5452907

SCHEMBL5452907

CN(C)C1CCCN1c1c(-c2ccccc2)cc(C#N)c2nc(C(C)(C)C)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 3/20 0.36
USP30 Q70CQ3 5/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AR P10275 2/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
UCHL1 P09936 3/20 0.30

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
SCHEMBL5452911 0.82 MAPK8 (0.42) BCL6CSNK2A1
SCHEMBL5439991 0.81 USP30 (0.34) USP30ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5451380 0.80 KDM4E (0.37) USP30ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6319555 0.78 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9L3MBTL1NPSR1
SCHEMBL5460510 0.77 DNMT1 (0.34) USP30ALDH1A1CYP2C9NPSR1HPGD
SCHEMBL5450202 0.76 NPSR1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL5453256 0.76 KDM4E (0.39) ALDH1A1CYP2C9NPSR1HPGDKDM4E
SCHEMBL5450209 0.75 MAT2A (0.33)
SCHEMBL5444668 0.75 LMNA (0.33) USP30ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5450154 0.74 USP30 (0.34) USP30ALDH1A1CYP1A2CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 BCL6 3120/4885USP30 4607/4885ALDH1A1 1357/4885

“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.