SCHEMBL6408038

SCHEMBL6408038

Cn1c(SCc2ccccc2)nnc1-c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ALDH1A1 P00352 2/20 0.65
HPGD P15428 1/20 0.65
SMN1; SMN2 Q16637 6/20 0.61
RAB9A P51151 5/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
DRD2 P14416 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
RGS12 O14924 1/20 0.55
ADRB2 P07550 1/20 0.55
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL4197148 0.90 NPC1 (0.81) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4204371 0.88 KMT2A (0.78) NPC1MEN1KMT2AALDH1A1HPGD
SCHEMBL4202140 0.86 KMT2A (0.76) NPC1MEN1KMT2AALDH1A1HPGD
SCHEMBL4206195 0.86 NPC1 (0.76) NPC1MEN1KMT2AALDH1A1HPGD
SCHEMBL11509618 0.86 NPC1 (0.76) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6409127 0.84 SMN1; SMN2 (0.80) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4206785 0.84 RAB9A (0.75) NPC1MEN1KMT2AALDH1A1HPGD
SCHEMBL4210981 0.84 KMT2A (0.72) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6410240 0.82 MEN1 (0.70) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6403344 0.82 L3MBTL1 (0.81) NPC1MEN1KMT2AALDH1A1HPGD

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 NPC1 2070/4885MEN1 3562/4885KMT2A 2263/4885

“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.