SCHEMBL5451199

SCHEMBL5451199

CCCCc1c(C)c(C#N)c2nc(-c3ccccn3)nn2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
HTT P42858 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.38
LMNA P02545 6/20 0.38
SLC2A1 P11166 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
POLB P06746 2/20 0.36
MAPK1 P28482 2/20 0.36
NSD2 O96028 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL5439351 0.88 SMN1; SMN2 (0.53) KMT2AHTTNPSR1MAPTSMN1; SMN2
SCHEMBL5451001 0.79 L3MBTL1 (0.37) KMT2AHTTNPSR1MAPTSMN1; SMN2
SCHEMBL5450996 0.78 KMT2A (0.43) KMT2AHTTNPSR1MAPTSMN1; SMN2
SCHEMBL5451003 0.77 HRH3 (0.38) KMT2AHTTNPSR1MAPTSMN1; SMN2
SCHEMBL5459955 0.72 MAPT (0.57) KMT2AHTTNPSR1MAPTSMN1; SMN2
SCHEMBL5440179 0.69 MAPT (0.51) KMT2AHTTNPSR1MAPTSMN1; SMN2
SCHEMBL5451539 0.69 KMT2A (0.50) KMT2AHTTNPSR1MAPTSMN1; SMN2
SCHEMBL5443989 0.65 ADORA3 (0.39) KMT2AHTTNPSR1MAPTSMN1; SMN2
SCHEMBL5446976 0.65 KDM4E (0.44) KMT2ANPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL5444601 0.63 HPGD (0.54) KMT2AHTTNPSR1MAPTSMN1; SMN2

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 KMT2A 3653/4885HTT 3088/4885NPSR1 3826/4885

“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.