SCHEMBL6409544

SCHEMBL6409544

CCn1c(COc2ccccc2C)nnc1SCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
POLB P06746 3/20 0.66
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 3/20 0.61
USP2 O75604 2/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPK1 P28482 1/20 0.61
GAA P10253 2/20 0.60
SIRT2 Q8IXJ6 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 2/20 0.52
HSP90AA1 P07900 1/20 0.52

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
SCHEMBL6403245 0.85 TSHR (0.82) TSHRPOLBLMNAGAASIRT2
SCHEMBL6403413 0.83 TSHR (0.66) TSHRPOLBTDP1LMNAUSP2
SCHEMBL23075079 0.82 TDP1 (0.78) TSHRPOLBTDP1LMNAUSP2
SCHEMBL6404140 0.80 TSHR (0.71) TSHRPOLBLMNAGAASIRT2
SCHEMBL4206437 0.80 SMN1; SMN2 (0.78) TSHRPOLBTDP1LMNAMAPT
SCHEMBL6405075 0.78 TDP1 (0.72) TSHRPOLBTDP1LMNAUSP2
SCHEMBL4204431 0.78 ALDH1A1 (0.75) TSHRLMNAMAPTKDM4ESMN1; SMN2
SCHEMBL6410268 0.77 CYP1A2 (0.87) TSHRPOLBLMNAMAPTKDM4E
SCHEMBL4202689 0.75 ALDH1A1 (0.71) TSHRPOLBLMNASMN1; SMN2MEN1
SCHEMBL6406874 0.75 LMNA (0.65) TSHRLMNAKDM4EGAASMN1; SMN2

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 854/4885TDP1 288/4885

“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.