SCHEMBL6403696

SCHEMBL6403696

Cn1c(Cc2ccccc2)nnc1SCC#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.55
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 2/20 0.51
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.48
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6265130 0.79 PKM (0.56) PKMALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL6265126 0.77 PKM (0.54) PKMALDH1A1L3MBTL1KMT2AHSD17B10
SCHEMBL6404384 0.75 PKM (0.70) PKMALDH1A1L3MBTL1KMT2AHSD17B10
SCHEMBL4204115 0.75 ALDH1A1 (0.70) PKMALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL6404536 0.74 ALDH1A1 (0.61) PKMALDH1A1L3MBTL1KMT2AHSD17B10
SCHEMBL12262621 0.74 PKM (0.80) PKMALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL4204903 0.74 PKM (0.68) PKMALDH1A1L3MBTL1KMT2AHSD17B10
SCHEMBL14777290 0.72 KMT2A (0.59) PKMALDH1A1L3MBTL1KMT2AHSD17B10
SCHEMBL4203150 0.70 ALDH1A1 (0.64) PKMALDH1A1L3MBTL1KMT2AHSD17B10
SCHEMBL14779109 0.70 RAB9A (0.55) PKMALDH1A1L3MBTL1KMT2AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT PKM 2155/4885ALDH1A1 720/4885TDP1 288/4885

“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.