SCHEMBL6404560

SCHEMBL6404560

O=C(O)c1ccc(CSc2nnc(-c3cccs3)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.51
ACMSD Q8TDX5 4/20 0.50
ALDH1A1 P00352 1/20 0.47
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
FFAR1 O14842 1/20 0.44
HPGDS O60760 1/20 0.42
POLB P06746 2/20 0.42
GRK6 P43250 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6406549 0.86 MAPT (0.51) HPGDLMNAALDH1A1MAPTPOLB
SCHEMBL6409758 0.83 SMN1; SMN2 (0.56) HPGDLMNAALDH1A1KDM4EMAPT
SCHEMBL6403770 0.82 SMN1; SMN2 (0.44) HPGDLMNAACMSDALDH1A1KDM4E
SCHEMBL6406156 0.80 GRK6 (0.59) HPGDLMNAALDH1A1KDM4EMAPT
SCHEMBL16171148 0.76 MEN1 (0.54) HPGDLMNAALDH1A1KDM4EMAPT
SCHEMBL6408310 0.75 KMT2A (0.52) HPGDLMNAACMSDALDH1A1KDM4E
SCHEMBL6404584 0.75 RAB9A (0.48) HPGDLMNAALDH1A1KDM4EMAPT
SCHEMBL6403939 0.74 VCP (0.50) HPGDLMNAACMSDALDH1A1KDM4E
SCHEMBL6407005 0.74 ACMSD (0.45) HPGDLMNAACMSDALDH1A1POLB
SCHEMBL6403484 0.74 ADORA3 (0.41) HPGDLMNAALDH1A1KDM4EMAPT

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 HPGD 835/4885LMNA 4116/4885ACMSD 3437/4885

“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.