SCHEMBL5452807

SCHEMBL5452807

Cc1c(-c2ccccc2)c(=O)n2nc(CCOCc3ccccc3)[nH]c2c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 9/20 0.38
MAPT P10636 4/20 0.38
GLA P06280 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HTT P42858 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
FPR1 P21462 2/20 0.35
CYP3A4 P08684 1/20 0.35
PDE9A O76083 1/20 0.35
PDE1C Q14123 1/20 0.35
GAA P10253 5/20 0.34

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
SCHEMBL5446948 0.84 MEN1 (0.41) CYP2C9MEN1CYP1A2PKMTSHR
SCHEMBL5444720 0.83 KDM4E (0.47) CYP2C9MEN1CYP1A2PKMTSHR
SCHEMBL5449952 0.82 KDM4E (0.44) CYP2C9MEN1CYP1A2PKMTSHR
SCHEMBL5446990 0.81 CYP2C9 (0.38) CYP2C9MEN1CYP1A2PKMTSHR
SCHEMBL5444141 0.80 KDM4E (0.47) CYP2C9MEN1CYP1A2PKMTSHR
SCHEMBL5444157 0.78 CYP1A2 (0.46) CYP2C9MEN1CYP1A2PKMTSHR
SCHEMBL5444663 0.78 CYP1A2 (0.46) CYP2C9MEN1CYP1A2PKMTSHR
SCHEMBL5442281 0.76 CYP1A2 (0.43) CYP2C9MEN1CYP1A2PKMTSHR
SCHEMBL5444532 0.76 MEN1 (0.36) CYP2C9MEN1CYP1A2PKMTSHR
SCHEMBL5451354 0.74 CYP1A2 (0.43) CYP2C9MEN1CYP1A2PKMTSHR

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 CYP2C9 423/4885MEN1 1182/4885CYP1A2 305/4885

“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.