SCHEMBL6405546

SCHEMBL6405546

CCOCCSc1nnc(-c2ccc(Cl)c(Cl)c2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
EGFR P00533 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34

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
SCHEMBL6408541 0.83 KDM4E (0.43) HRH1LMNAMAPTALDH1A1HTT
SCHEMBL6406053 0.80 MEN1 (0.39) EGFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6410210 0.80 HRH1 (0.43) HRH1MAPTHTTMEN1KMT2A
SCHEMBL6408678 0.75 CYP3A4 (0.40) LMNAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL6404036 0.73 PRKAG1 (0.49) HRH1LMNAMAPTALDH1A1MEN1
SCHEMBL6409235 0.72 NPY5R (0.43) HRH1POLBHTTSMN1; SMN2MEN1
SCHEMBL7953001 0.72 HRH1 (0.49) HRH1SLC6A2SLC6A4SLC6A3AHR
SCHEMBL6406938 0.71 SIGMAR1 (0.48) SLC6A2SLC6A4SLC6A3EGFRMAPT
SCHEMBL6405444 0.71 ALDH1A1 (0.39) LMNAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL6407085 0.69 PTGS2 (0.44) HRH1SLC6A2SLC6A4SLC6A3LMNA

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 HRH1 2884/4885SLC6A2 2198/4885SLC6A4 1556/4885

“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.