SCHEMBL6410626

SCHEMBL6410626

N#CCSc1nnc(C2CCCCC2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAPGEF4 Q8WZA2 7/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CXCR2 P25025 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL6958865 0.73 L3MBTL1 (0.37) ALDH1A1CYP1A2CYP3A4MAPTMAPK1
SCHEMBL6958862 0.73 KDM4E (0.36) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL13572996 0.69 KDM4E (0.45) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL24317084 0.66 KDM4E (0.42) ALDH1A1CYP1A2CYP3A4MAPTALOX15
SCHEMBL6409032 0.65 KMT2A (0.38) KMT2A
SCHEMBL6408814 0.64 ADORA2B (0.32) KMT2AMEN1CYP1A2HIF1ATSHR
SCHEMBL11327540 0.64 KDM4E (0.37) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL13512799 0.63 KDM4E (0.39) ALDH1A1CYP1A2CYP3A4MAPTALOX15
SCHEMBL17918659 0.63 KDM4E (0.44) ALDH1A1CYP1A2CYP3A4MAPTMAPK1
SCHEMBL6970737 0.63 KDM4E (0.44) ALDH1A1CYP1A2CYP3A4MAPTMAPK1

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 ALDH1A1 720/4885KMT2A 2263/4885MEN1 3562/4885

“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.

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