SCHEMBL5906854

SCHEMBL5906854

Cc1cc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)sn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.63
TUBB P07437 1/20 0.63
TUBA3C P0DPH7 1/20 0.63
TUBA1B P68363 1/20 0.63
TUBA4A P68366 1/20 0.63
TUBB4B P68371 1/20 0.63
TUBB3 Q13509 1/20 0.63
TUBB2A Q13885 1/20 0.63
TUBB8 Q3ZCM7 1/20 0.63
TUBA3E Q6PEY2 1/20 0.63
TUBA1A Q71U36 1/20 0.63
TUBA1C Q9BQE3 1/20 0.63
TUBB6 Q9BUF5 1/20 0.63
TUBB2B Q9BVA1 1/20 0.63
TUBB1 Q9H4B7 1/20 0.63
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
NPY1R P25929 1/20 0.48
HTT P42858 1/20 0.48
NPY2R P49146 1/20 0.48

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
SCHEMBL6087104 0.90 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5906946 0.89 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5906950 0.89 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3000966 0.86 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1578409 0.83 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4088403 0.79 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2245487 0.78 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Indibulin SCHEMBL3165856 0.78 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Indibulin SCHEMBL29355017 0.78 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6269213 0.77 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004044-A1 3-glyoxylamideindoles for treating cancer SYNTA PHARMACEUTICALS CORP. (US) 2006-01-05 US disclosed
US-6958348-B2 3-glyoxylamideindoles for treating cancer SYNTA PHARMACEUTICALS CORP. (US) 2005-10-25 US disclosed
EP-1427416-A2 3-GLYOXLYLAMIDEINDOLES FOR TREATING CANCER Synta Pharmaceuticals Corporation (US) 2004-06-16 EP disclosed
US-20030092751-A1 3-glyoxlylamideindoles for treating cancer SBR PHARMACEUTICALS CORP. 2003-05-15 US disclosed
WO-2003022280-A2 3-GLYOXLYLAMIDEINDOLES FOR TREATING CANCER SYNTA PHARMACEUTICALS CORP. (US) 2003-03-20 WO 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 (2 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-20060004044-A1 3-glyoxylamideindoles for treating cancer GLB1, SLC22A2, AGXT TUBB4A 283/4885TUBB 176/4885TUBA3C 1131/4885
US-20030092751-A1 3-glyoxlylamideindoles for treating cancer GDI2, GOT2, TOP2B TUBB4A 256/4885TUBB 105/4885TUBA3C 794/4885

“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.