SCHEMBL2129440

SCHEMBL2129440

COc1ccc(I)c(N)c1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP19A1 P11511 1/20 0.32
EP300 Q09472 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL2130196 0.79 MAPT (0.39) CYP3A4LMNAMAPTALDH1A1GAA
SCHEMBL2128405 0.70 ALDH1A1 (0.52) HTR1AHTR2CTSHRLMNAMAPT
SCHEMBL24926176 0.70 SMN1; SMN2 (0.50) CYP3A4TSHRLMNAMAPTNPSR1
SCHEMBL28421554 0.69 CSNK2A1 (0.33) CYP1A2MAPTALDH1A1
SCHEMBL31571429 0.68 CYP1A1 (0.40) MAPTALDH1A1CYP19A1
SCHEMBL3751809 0.68 CYP1A1 (0.40) MAPTALDH1A1CYP19A1
SCHEMBL19612192 0.67 SMN1; SMN2 (0.47) CYP3A4LMNAMAPTNPSR1ALDH1A1
SCHEMBL31507661 0.67 SRC (0.44) CYP3A4TSHRMAPTNPSR1ALDH1A1
SCHEMBL4114610 0.67 GAA (0.42) HTR1AHTR2AHTR2CHTR2BCYP3A4
SCHEMBL3293006 0.66 ALDH1A1 (0.50) CYP3A4TSHRLMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170020840-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LTD (AU) 2017-01-26 US disclosed
US-9346842-B2 Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2016-05-24 US disclosed
US-20140171642-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2014-06-19 US disclosed
US-8716335-B2 Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2014-05-06 US disclosed
US-8680135-B2 Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2014-03-25 US disclosed
US-20130053351-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2013-02-28 US disclosed
US-20120214770-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-08-23 US disclosed
US-8198466-B2 Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2012-06-12 US disclosed
EP-2460793-A1 Substituted Benzofurans, Benzothiophenes, Benzoselenophenes and Indoles And Their Use as Tubulin Polymerisation Inhibitors Bionomics Limited (AU) 2012-06-06 EP disclosed
EP-1984333-B1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LTD (AU) 2012-04-25 EP disclosed
US-20100004208-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-01-07 US disclosed
EP-1984333-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS Bionomics Limited (AU) 2008-10-29 EP disclosed
WO-2007087684-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2007-08-09 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 (5 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-20120214770-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB HTR1A 2270/4885HTR2A 2632/4885HTR2C 1902/4885
US-20170020840-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB HTR1A 2270/4885HTR2A 2632/4885HTR2C 1902/4885
US-20100004208-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB HTR1A 2270/4885HTR2A 2632/4885HTR2C 1902/4885
US-20140171642-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB HTR1A 2270/4885HTR2A 2632/4885HTR2C 1902/4885
US-20130053351-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB HTR1A 2270/4885HTR2A 2632/4885HTR2C 1902/4885

“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.