SCHEMBL5453313

SCHEMBL5453313

CCCCc1c(C)c(C#N)c2nc(C(C)C)nn2c1N1CCCC1N(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
KMT2A Q03164 3/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HIF1A Q16665 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
SCHEMBL5445123 0.88 KMT2A (0.34) TSHRKMT2AHPGDMAPTHTT
SCHEMBL5455615 0.88 KMT2A (0.33) TSHRKMT2AHPGDMAPTHTT
SCHEMBL5446947 0.85 TSHR (0.33) TSHRKMT2AHPGDMAPTHTT
SCHEMBL5443989 0.82 ADORA3 (0.39) TSHRKMT2AHPGDMAPTHTT
SCHEMBL5453316 0.82 HPGD (0.32) TSHRKMT2AHPGDMAPTHTT
SCHEMBL5440174 0.82 KMT2A (0.34) TSHRKMT2AHPGDMAPTHTT
SCHEMBL5451001 0.80 L3MBTL1 (0.37) TSHRKMT2AHPGDMAPTHTT
SCHEMBL5444083 0.79 GRM5 (0.34) KMT2AHPGDMAPTHTTRAB9A
SCHEMBL5441173 0.79 ADORA3 (0.40) TSHRKMT2AHPGDMAPTHTT
SCHEMBL5446920 0.77 L3MBTL1 (0.39) TSHRKMT2AHPGDMAPTHTT

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 TSHR 4794/4885KMT2A 3653/4885HPGD 1448/4885

“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.