SCHEMBL6403873

SCHEMBL6403873

Cc1nnc(SCCc2ccccc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
HSD17B10 Q99714 2/20 0.56
USP2 O75604 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
AR P10275 2/20 0.51
DAO P14920 1/20 0.50
ALDH1A1 P00352 2/20 0.49
GPR84 Q9NQS5 3/20 0.47
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM3B Q7LBC6 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44

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
SCHEMBL6408107 0.84 ALDH1A1 (0.67) RAB9AMAPTTSHRDAOALDH1A1
SCHEMBL6406096 0.76 RAB9A (0.52) RAB9AHSD17B10USP2MAPTALOX15
SCHEMBL6404584 0.71 RAB9A (0.48) RAB9AHSD17B10USP2MAPTALOX15
SCHEMBL6408206 0.71 ALDH1A1 (0.59) RAB9AHSD17B10MAPTMAPK1ALDH1A1
SCHEMBL6404855 0.70 MAOB (0.51) RAB9AUSP2MAPTTSHRALDH1A1
SCHEMBL419212 0.70 GAA (0.48) RAB9ATSHRDAOALDH1A1CYP2C9
SCHEMBL15329436 0.68 SMN1; SMN2 (0.43) ALDH1A1GPR84CYP1A2CYP2C9CYP2C19
SCHEMBL15928188 0.68 POLB (0.55) RAB9AMAPTDAOALDH1A1CYP1A2
SCHEMBL13752161 0.65 ABCB1 (0.62) RAB9AMAPTARALDH1A1GPR84
SCHEMBL12301179 0.64 MCHR1 (0.64) RAB9AMAPTALDH1A1CYP1A2CYP3A4

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 4278/4885HSD17B10 1270/4885USP2 1305/4885

“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.