SCHEMBL5447457

SCHEMBL5447457

Cc1c(-c2cccc([N+](=O)[O-])c2)c(N2CCCC2N(C)C)n2nc(C(C)(C)C)nc2c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.36
ALDH1A1 P00352 5/20 0.34
PKM P14618 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA4 P43681 1/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
CDC7 O00311 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIM1 P11309 1/20 0.32
CDK2 P24941 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
SCHEMBL5451079 0.91 MAPT (0.32) ALDH1A1PKMLMNAMAPTKDM4E
SCHEMBL5450209 0.87 MAT2A (0.33) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5439991 0.86 USP30 (0.34) USP30ALDH1A1LMNAMAPTKDM4E
SCHEMBL5447461 0.85 WDR5 (0.36) USP30ALDH1A1PKMCDC7MAP4K4
SCHEMBL5451071 0.79 ALDH1A1 (0.39) ALDH1A1PKMLMNAMAPTKDM4E
SCHEMBL5453256 0.75 KDM4E (0.39) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL5442736 0.74 PDE4D (0.37) USP30ALDH1A1LMNAMAPTKDM4E
SCHEMBL5452907 0.72 BCL6 (0.36) USP30ALDH1A1LMNAKDM4EHPGD
SCHEMBL5446947 0.72 TSHR (0.33) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL5442820 0.72 GRM5 (0.34) USP30ALDH1A1LMNAMAPTKDM4E

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 USP30 4607/4885ALDH1A1 1357/4885PKM 1249/4885

“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.