SCHEMBL12091261

SCHEMBL12091261

COc1c(C)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(N)CC2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 10/20 0.81
TUBB P07437 10/20 0.81
TUBA3C P0DPH7 10/20 0.81
TUBA1B P68363 10/20 0.81
TUBA4A P68366 10/20 0.81
TUBB4B P68371 10/20 0.81
TUBB3 Q13509 10/20 0.81
TUBB2A Q13885 10/20 0.81
TUBB8 Q3ZCM7 10/20 0.81
TUBA3E Q6PEY2 10/20 0.81
TUBA1A Q71U36 10/20 0.81
TUBA1C Q9BQE3 10/20 0.81
TUBB6 Q9BUF5 10/20 0.81
TUBB2B Q9BVA1 10/20 0.81
TUBB1 Q9H4B7 10/20 0.81
NR0B1 P51843 1/20 0.81
GNG2 P59768 1/20 0.62
GNB1 P62873 1/20 0.62
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59

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
SCHEMBL30418517 0.89 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5434553 0.89 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1401455 0.89 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12091250 0.88 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21048471 0.88 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1401563 0.86 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1401770 0.85 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1401409 0.85 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12091269 0.85 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13622206 0.85 TUBB4A (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458101-B2 Colchicine derivatives, methods and uses thereof NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2016-10-04 US disclosed
US-20120225912-A1 NOVEL COLCHICINE DERIVATIVES, METHODS AND USES THEREOF ALBERTA HEALTH SERVICES (CA) 2012-09-06 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-20120225912-A1 NOVEL COLCHICINE DERIVATIVES, METHODS AND USES THEREOF TUBA1C, TUBB1, TUBB TUBB4A 10/4885TUBB 3/4885TUBA3C 6/4885

“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.