SCHEMBL5447374

SCHEMBL5447374

CCCCc1nc2c(C#N)c(C)c(-c3ccccc3)c(N3CCCC3N(C)C)n2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
AADAT Q8N5Z0 1/20 0.33
GRM5 P41594 1/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 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
SCHEMBL5442755 0.92 MAPT (0.35) HPGDKMT2ASMN1; SMN2MAPTHTT
SCHEMBL5447395 0.91 LMNA (0.35) HPGDSMN1; SMN2MAPTHTTRAB9A
SCHEMBL5446968 0.90 LMNA (0.35) HPGDSMN1; SMN2MAPTHTTRAB9A
SCHEMBL5458145 0.89 LMNA (0.35) HPGDKMT2ASMN1; SMN2MAPTHTT
SCHEMBL5447397 0.89 LMNA (0.35) HPGDSMN1; SMN2MAPTHTTRAB9A
SCHEMBL5442820 0.87 GRM5 (0.34) HPGDSMN1; SMN2MAPTRAB9ALMNA
SCHEMBL5444472 0.87 ALDH1A1 (0.39) HPGDKMT2ASMN1; SMN2MAPTHTT
SCHEMBL5450288 0.86 AADAT (0.34) HPGDKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL5445123 0.86 KMT2A (0.34) HPGDKMT2ASMN1; SMN2MAPTHTT
SCHEMBL5458301 0.86 GRM5 (0.36) HPGDKMT2ASMN1; SMN2MAPTHTT

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 HPGD 1448/4885KMT2A 3653/4885SMN1; SMN2 4277/4885

“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.