SCHEMBL5451071

SCHEMBL5451071

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PKM P14618 2/20 0.39
AMY1A P0DUB6 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36

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
SCHEMBL5444131 0.88 LMNA (0.41) ALDH1A1PKMLMNAKDM4EPOLB
SCHEMBL5441180 0.83 LMNA (0.44) ALDH1A1PKMLMNAKDM4EPOLB
SCHEMBL5447461 0.79 WDR5 (0.36) ALDH1A1PKMAMY1AALPLALPI
SCHEMBL5447457 0.79 USP30 (0.36) ALDH1A1PKMAMY1ALMNAKDM4E
SCHEMBL5439891 0.72 LMNA (0.39) ALDH1A1PKMLMNAKDM4EHPGD
SCHEMBL5441224 0.69 LMNA (0.48) ALDH1A1PKMLMNAKDM4EHPGD
SCHEMBL5450251 0.68 LMNA (0.47) ALDH1A1PKMLMNAKDM4EHPGD
SCHEMBL3295790 0.68 MEN1 (0.39) ALDH1A1PKMLMNAKDM4EMEN1
SCHEMBL5442413 0.68 LMNA (0.39) ALDH1A1PKMLMNAKDM4EPOLB
SCHEMBL5440146 0.68 LMNA (0.44) ALDH1A1PKMLMNAKDM4EHPGD

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 ALDH1A1 1357/4885PKM 1249/4885AMY1A 88/4885

“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.