SCHEMBL6403413

SCHEMBL6403413

CCn1c(COc2ccccc2C)nnc1SCC(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
POLB P06746 1/20 0.66
GAA P10253 3/20 0.60
KDM4E B2RXH2 4/20 0.58
LMNA P02545 3/20 0.58
USP2 O75604 2/20 0.58
MAPT P10636 2/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.50
VCP P55072 1/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
HSD17B10 Q99714 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
SCHEMBL6409544 0.83 TSHR (0.66) TSHRPOLBGAAKDM4ELMNA
SCHEMBL23075079 0.75 TDP1 (0.78) TSHRPOLBGAAKDM4ELMNA
SCHEMBL6405075 0.71 TDP1 (0.72) TSHRPOLBGAAKDM4ELMNA
SCHEMBL6403245 0.68 TSHR (0.82) TSHRPOLBGAALMNASMN1; SMN2
SCHEMBL6264446 0.67 TSHR (0.64) TSHRLMNAUSP2MAPTMAPK1
SCHEMBL6403407 0.66 PKM (0.74) POLBLMNAMAPK1SMN1; SMN2MEN1
SCHEMBL6404554 0.65 TDP1 (0.70) KDM4ELMNAUSP2MAPTSMN1; SMN2
SCHEMBL12768261 0.65 RAB9A (0.56) TSHRPOLBGAAKDM4ELMNA
SCHEMBL6406624 0.64 TSHR (0.64) TSHRPOLBLMNAUSP2MAPT
SCHEMBL4206437 0.64 SMN1; SMN2 (0.78) TSHRPOLBLMNAMAPTMAPK1

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 TSHR 3470/4885POLB 854/4885GAA 85/4885

“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.