SCHEMBL5451079

SCHEMBL5451079

Cc1c(-c2ccc([N+](=O)[O-])cc2)c(N2CCCC2N(C)C)n2nc(C(C)(C)C)nc2c1C#N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
SLC22A12 Q96S37 1/20 0.31
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
IKBKB O14920 1/20 0.30
KDM4E B2RXH2 2/20 0.30
POLB P06746 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ATM Q13315 1/20 0.30
CHRM3 P20309 1/20 0.30
AR P10275 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 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
SCHEMBL5451084 0.84 EGLN2 (0.34) MAPTKDM4EPOLBLMNAHPGD
SCHEMBL5450209 0.82 MAT2A (0.33) IKBKBCHRM3
SCHEMBL5444131 0.77 LMNA (0.41) MAPTSLC22A12FNTAFNTBIKBKB
SCHEMBL5458301 0.77 GRM5 (0.36) MAPTGRIA2GRIA4KDM4EPOLB
SCHEMBL5446947 0.75 TSHR (0.33) MAPTKDM4EHPGDNPSR1ALDH1A1
SCHEMBL5444083 0.74 GRM5 (0.34) MAPTGRIA2GRIA4KDM4EPOLB
SCHEMBL5446968 0.74 LMNA (0.35) MAPTGRIA2GRIA4KDM4EPOLB
SCHEMBL5455766 0.73 KDM4E (0.32) MAPTKDM4EPOLBHPGDAR
SCHEMBL5444472 0.72 ALDH1A1 (0.39) MAPTKDM4ELMNAHPGDNPSR1
SCHEMBL5460510 0.72 DNMT1 (0.34) FNTAFNTBKDM4EPOLBLMNA

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 MAPT 1405/4885SLC22A12 1299/4885FNTA 1370/4885

“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.