SCHEMBL5637009

SCHEMBL5637009

COc1ccc2c(Br)c(-c3cc(OC)c(OC)c(OC)c3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 15/20 0.58
TUBB4A P04350 13/20 0.58
TUBB P07437 13/20 0.58
TUBA3C P0DPH7 13/20 0.58
TUBA1B P68363 13/20 0.58
TUBA4A P68366 13/20 0.58
TUBB4B P68371 13/20 0.58
TUBB3 Q13509 13/20 0.58
TUBB2A Q13885 13/20 0.58
TUBB8 Q3ZCM7 13/20 0.58
TUBA3E Q6PEY2 13/20 0.58
TUBA1A Q71U36 13/20 0.58
TUBA1C Q9BQE3 13/20 0.58
TUBB6 Q9BUF5 13/20 0.58
TUBB2B Q9BVA1 13/20 0.58
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL5031028 0.80 TUBB1 (0.78) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5027099 0.74 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5026223 0.73 TUBB1 (0.87) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5026295 0.72 TUBB1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27686995 0.71 DYRK1A (0.55) MTNR1AMTNR1BKDM4EALDH1A1RXFP1
SCHEMBL3916211 0.70 TUBB1 (0.61) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5638213 0.70 KDM4E (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29533596 0.69 KDM4E (0.68) KDM4EALDH1A1RXFP1
SCHEMBL2330779 0.69 KDM4E (0.68) KDM4EALDH1A1RXFP1
SCHEMBL5027066 0.69 TUBB1 (0.76) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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-20070082872-A1 Indole-containing compounds with anti-tubulin and vascular targeting activity BAYLOR UNIVERSITY 2007-04-12 US disclosed
WO-2004099139-A1 INDOLE-CONTAINING COMPOUNDS WITH ANTI-TUBULIN AND VASCULAR TARGETING ACTIVITY BAYLOR UNIVERSITY (US) 2004-11-18 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 (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-20070082872-A1 Indole-containing compounds with anti-tubulin and vascular targeting activity TUBB3, TUBB1, TUBB TUBB1 2/4885TUBB4A 5/4885TUBB 3/4885

“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.