SCHEMBL5812015

SCHEMBL5812015

COc1cc(Sc2c[nH]c3ccc(Br)cc23)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 19/20 1.00
TUBB P07437 19/20 1.00
TUBA3C P0DPH7 19/20 1.00
TUBA1B P68363 19/20 1.00
TUBA4A P68366 19/20 1.00
TUBB4B P68371 19/20 1.00
TUBB3 Q13509 19/20 1.00
TUBB2A Q13885 19/20 1.00
TUBB8 Q3ZCM7 19/20 1.00
TUBA3E Q6PEY2 19/20 1.00
TUBA1A Q71U36 19/20 1.00
TUBA1C Q9BQE3 19/20 1.00
TUBB6 Q9BUF5 19/20 1.00
TUBB2B Q9BVA1 19/20 1.00
TUBB1 Q9H4B7 19/20 1.00
IDO1 P14902 2/20 0.73

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
SCHEMBL5808034 0.84 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812276 0.84 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5809417 0.84 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5807181 0.84 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5811687 0.84 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2552819 0.82 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22802299 0.81 IDO1 (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5811628 0.80 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5809696 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22802281 0.78 TUBB4A (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944597-B2 Polysubstituted pyrroles having microtubule-disrupting, cytotoxic and antitumor activities and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-04-17 US disclosed
US-20160297757-A1 POLYSUBSTITUTED PYRROLES HAVING MICROTUBULE-DISRUPTING, CYTOTOXIC AND ANTITUMOR ACTIVITIES AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SY STEM (US) 2016-10-13 US disclosed
WO-2015039073-A1 POLYSUBSTITUTED PYRROLES HAVING MICROTUBULE-DISRUPTING, CYTOTOXIC AND ANTITUMOR ACTIVITIES AND METHDS OF USE THEREOF KELLOGG GLEN E (US) 2015-03-19 WO disclosed
WO-2006041961-A1 ARYLTHIOINDOLE TUBULIN POLYMERIZATION INHIBITORS AND METHODS OF TREATING OR PREVENTING CANCER USING SAME GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTHAND HUMAN SERVICES (US) 2006-04-20 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 (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-20160297757-A1 POLYSUBSTITUTED PYRROLES HAVING MICROTUBULE-DISRUPTING, CYTOTOXIC AND ANTITUMOR ACTIVITIES AND METHODS OF USE THEREOF TUBB3, TUBB1, TUBB TUBB4A 11/4885TUBB 3/4885TUBA3C 9/4885

“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.