SCHEMBL5451001

SCHEMBL5451001

CCCCc1c(C)c(C#N)c2nc(-c3ccccn3)nn2c1N1CCCC1N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
ADORA2A P29274 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ADORA1 P30542 2/20 0.36
CASP1 P29466 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CASP7 P55210 1/20 0.36
MEN1 O00255 3/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 3/20 0.34
POLB P06746 3/20 0.34
UCHL1 P09936 1/20 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
SCHEMBL5443989 0.89 ADORA3 (0.39) L3MBTL1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL5440174 0.86 KMT2A (0.34) L3MBTL1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL5441173 0.85 ADORA3 (0.40) L3MBTL1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL5451003 0.84 HRH3 (0.38) L3MBTL1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL5445123 0.82 KMT2A (0.34) L3MBTL1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL5446947 0.80 TSHR (0.33) L3MBTL1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL5453313 0.80 TSHR (0.33) L3MBTL1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL5451199 0.79 KMT2A (0.44) L3MBTL1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL5455615 0.78 KMT2A (0.33) L3MBTL1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL5439351 0.77 SMN1; SMN2 (0.53) L3MBTL1KMT2ASMN1; SMN2NPSR1HPGD

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 L3MBTL1 3180/4885KMT2A 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.