SCHEMBL7067343

SCHEMBL7067343

COc1cc(C(=O)c2cc3c(S(=O)(=O)c4ccccc4)ccnc3[nH]2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 16/20 0.45
TUBB P07437 16/20 0.45
TUBA3C P0DPH7 16/20 0.45
TUBA1B P68363 16/20 0.45
TUBA4A P68366 16/20 0.45
TUBB4B P68371 16/20 0.45
TUBB3 Q13509 16/20 0.45
TUBB2A Q13885 16/20 0.45
TUBB8 Q3ZCM7 16/20 0.45
TUBA3E Q6PEY2 16/20 0.45
TUBA1A Q71U36 16/20 0.45
TUBA1C Q9BQE3 16/20 0.45
TUBB6 Q9BUF5 16/20 0.45
TUBB2B Q9BVA1 16/20 0.45
TUBB1 Q9H4B7 16/20 0.45
USP2 O75604 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL7065226 0.89 FBP1 (0.42) KDM4EGAAHPGD
SCHEMBL7063837 0.86 HTR6 (0.43) GAA
SCHEMBL7067545 0.85 HTR6 (0.40) KDM4EGAAHPGD
SCHEMBL7066081 0.85 KAT6A (0.48)
SCHEMBL7060983 0.82 HSD11B1 (0.48) HPGD
SCHEMBL7062024 0.82 ALDH1A1 (0.44) KDM4EGAA
SCHEMBL10003711 0.76 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5716657 0.74 MEN1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10002790 0.69 RAB9A (0.41) HPGD
SCHEMBL7065124 0.67 MEN1 (0.43) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 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 (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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT TUBB4A 240/4885TUBB 183/4885TUBA3C 259/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT TUBB4A 240/4885TUBB 183/4885TUBA3C 259/4885

“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.