SCHEMBL565730

SCHEMBL565730

COc1ccc(I)c(NC(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
F10 P00742 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
DYRK1A Q13627 2/20 0.46

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
SCHEMBL2130017 0.81 NPSR1 (0.50) LMNATSHRF10TP53GAA
SCHEMBL2856689 0.81 LMNA (0.55) HTTLMNATSHRALDH1A1MAPT
SCHEMBL359701 0.81 MAPT (0.56) HTTLMNATSHRALDH1A1MAPT
SCHEMBL2502603 0.81 MAPT (0.71) HTTTSHRALDH1A1MAPTKDM4E
SCHEMBL30117898 0.79 ALDH1A1 (0.64) HTTLMNATSHRALDH1A1MAPT
SCHEMBL21635517 0.79 RAB9A (0.55) HTTLMNATSHRALDH1A1MAPT
SCHEMBL11691484 0.79 HDAC2 (0.55) HTTLMNATSHRALDH1A1MAPT
SCHEMBL2847925 0.79 ALDH1A1 (0.64) HTTLMNATSHRALDH1A1MAPT
SCHEMBL7360829 0.79 HTT (0.54) HTTLMNATSHRALDH1A1MAPT
SCHEMBL4408781 0.78 HTT (0.52) HTTLMNATSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-8557982-B2 Tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2013-10-15 US disclosed
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-12-06 US disclosed
US-8278290-B2 Tubulin polymerisation inhibitors Biononics Limited (AU) 2012-10-02 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-11-18 US disclosed
US-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7538252-B2 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-05-26 US disclosed
US-7538252-B2 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-05-26 US disclosed
EP-1363880-A4 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS UNIV AUSTRALIAN (AU) 2008-10-08 EP disclosed
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US disclosed
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US disclosed
WO-2008030892-A2 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed
EP-1848704-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS Bionomics Limited (AU) 2007-10-31 EP disclosed
WO-2006084338-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2006-08-17 WO disclosed
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2005-06-16 US disclosed
EP-1363880-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-11-26 EP disclosed
WO-2002060872-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-08-08 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 (6 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-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof TUBB, TUBA1C, TUBB1 HTT 1121/4885LMNA 1792/4885TSHR 3929/4885
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB HTT 1039/4885LMNA 2644/4885TSHR 4488/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 HTT 1121/4885LMNA 1792/4885TSHR 3929/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 HTT 3688/4885LMNA 3090/4885TSHR 667/4885
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 HTT 762/4885LMNA 1765/4885TSHR 4589/4885
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB HTT 1039/4885LMNA 2644/4885TSHR 4488/4885

“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.