SCHEMBL6405023

SCHEMBL6405023

Cn1c(SCC#N)nnc1-c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
PKM P14618 2/20 0.60
GAA P10253 1/20 0.58
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
GLA P06280 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
DRD2 P14416 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
SCHEMBL6404745 0.79 MAPK1 (0.68) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL6409091 0.77 ALDH1A1 (0.74) ALDH1A1NPC1MEN1KMT2AGAA
SCHEMBL18556536 0.77 LMNA (0.68) LMNAALDH1A1MEN1KMT2APKM
SCHEMBL10916439 0.77 ALDH1A1 (1.00) ALDH1A1NPC1MEN1KMT2AGAA
SCHEMBL6407431 0.77 ALDH1A1 (0.69) LMNAALDH1A1NPC1MEN1KMT2A
SCHEMBL6408038 0.76 NPC1 (1.00) ALDH1A1NPC1MEN1KMT2AHPGD
SCHEMBL4204371 0.75 KMT2A (0.78) ALDH1A1NPC1MEN1KMT2AGAA
SCHEMBL4202140 0.74 KMT2A (0.76) LMNAALDH1A1NPC1MEN1KMT2A
SCHEMBL4202658 0.72 LMNA (0.59) LMNAALDH1A1PKMGAAHPGD
SCHEMBL1544724 0.72 NPC1 (0.64) LMNAALDH1A1NPC1MEN1KMT2A

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 LMNA 4116/4885ALDH1A1 720/4885NPC1 2070/4885

“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.