SCHEMBL6406864

SCHEMBL6406864

COc1cc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.64
TUBB P07437 1/20 0.64
TUBA3C P0DPH7 1/20 0.64
TUBA1B P68363 1/20 0.64
TUBA4A P68366 1/20 0.64
TUBB4B P68371 1/20 0.64
TUBB3 Q13509 1/20 0.64
TUBB2A Q13885 1/20 0.64
TUBB8 Q3ZCM7 1/20 0.64
TUBA3E Q6PEY2 1/20 0.64
TUBA1A Q71U36 1/20 0.64
TUBA1C Q9BQE3 1/20 0.64
TUBB6 Q9BUF5 1/20 0.64
TUBB2B Q9BVA1 1/20 0.64
TUBB1 Q9H4B7 1/20 0.64
METAP2 P50579 3/20 0.55
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 1/20 0.53
PTK2 Q05397 1/20 0.53
GAA P10253 3/20 0.53

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
SCHEMBL28375277 0.93 SMN1; SMN2 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28376399 0.92 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28371821 0.92 METAP2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28376572 0.92 TERT (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28371356 0.92 CYP3A4 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28373078 0.91 METAP2 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28376534 0.88 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28373082 0.86 METAP2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28376474 0.86 MAPK1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28376533 0.86 METAP2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 TUBB4A 1810/4885TUBB 1315/4885TUBA3C 1193/4885

“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.