SCHEMBL6406096

SCHEMBL6406096

c1ccc(CCSc2nnc(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
AR P10275 2/20 0.48
DAO P14920 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
GPR84 Q9NQS5 2/20 0.43
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
KDM3B Q7LBC6 1/20 0.42
HIF1AN Q9NWT6 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42

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
SCHEMBL6404441 0.81 ALPL (0.53) RAB9AUSP2MAPTALOX15TSHR
SCHEMBL6404359 0.80 HRH1 (0.49) RAB9AUSP2MAPTALOX15TSHR
SCHEMBL14907754 0.77 GRK6 (0.56) RAB9AALDH1A1NPSR1CYP1A2CYP2C19
SCHEMBL6404584 0.77 RAB9A (0.48) RAB9AUSP2MAPTALOX15TSHR
SCHEMBL6403873 0.76 RAB9A (0.56) RAB9AUSP2MAPTALOX15TSHR
SCHEMBL6406053 0.75 MEN1 (0.39) RAB9AUSP2MAPTMAPK1AR
SCHEMBL23527345 0.74 PTGES (0.53) RAB9AMAPTALOX15TSHRMAPK1
SCHEMBL6404737 0.74 TNKS (0.46) RAB9AUSP2TSHRALDH1A1CYP1A2
SCHEMBL6409048 0.73 ALDH1A1 (0.48) RAB9AMAPTTSHRMAPK1L3MBTL1
SCHEMBL17948203 0.73 NPC1 (0.57) RAB9AMAPK1HSD17B10L3MBTL1ALDH1A1

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 RAB9A 4278/4885USP2 1305/4885MAPT 2111/4885

“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.