SCHEMBL6124203

SCHEMBL6124203

COc1ccc(C/N=C/c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.51
MAPT P10636 4/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.46
TRPA1 O75762 1/20 0.46
LTA4H P09960 1/20 0.46
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
ERN1 O75460 2/20 0.44
TDP1 Q9NUW8 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
SCHEMBL10322462 0.91 CA2 (0.54) G6PC1MAPTKDM4EPOLBTRPA1
SCHEMBL8544003 0.91 CA2 (0.54) G6PC1MAPTKDM4EPOLBTRPA1
SCHEMBL8543996 0.91 G6PC1 (0.60) G6PC1MAPTKDM4EPOLBTRPA1
SCHEMBL11984337 0.91 G6PC1 (0.60) G6PC1MAPTKDM4EPOLBTRPA1
SCHEMBL562216 0.89 CA2 (0.52) G6PC1MAPTKDM4EPOLBCA2
SCHEMBL562215 0.89 CA2 (0.52) G6PC1MAPTKDM4EPOLBCA2
SCHEMBL8543783 0.84 SMN1; SMN2 (0.54) MAPTKDM4EPOLBCA2CA1
SCHEMBL8543787 0.84 CA2 (0.60) G6PC1MAPTKDM4EPOLBCA2
SCHEMBL19233526 0.81 NFE2L2 (0.56) G6PC1MAPTPOLBCA2CA1
SCHEMBL4006483 0.80 S100B (0.62) MAPTKDM4EPOLBCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750706-B1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS Univ Virginia Patent Found (US) 2016-10-05 EP disclosed
US-9133136-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-09-15 US disclosed
US-9133136-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-09-15 US disclosed
US-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-11-06 US disclosed
US-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-11-06 US disclosed
US-8642610-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-02-04 US disclosed
US-8642610-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-02-04 US disclosed
US-8298512-B2 Methods of determining β-III tubulin expression UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-30 US disclosed
US-8298512-B2 Methods of determining β-III tubulin expression UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-30 US disclosed
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-09 US disclosed
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-09 US disclosed
US-8178545-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-8178545-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-18 US disclosed
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-18 US disclosed
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-06-14 US disclosed
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-06-14 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 (4 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-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B G6PC1 1244/4885MAPT 107/4885KDM4E 3008/4885
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION TUBB3, TUBB1, TUBB G6PC1 3605/4885MAPT 71/4885KDM4E 4769/4885
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B G6PC1 1244/4885MAPT 107/4885KDM4E 3008/4885
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis TP53, MAP2, MAP1LC3B G6PC1 1244/4885MAPT 107/4885KDM4E 3008/4885

“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.