SCHEMBL6124102

SCHEMBL6124102

O=C1NC(c2cc(-c3ccccc3)cs2)Nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 8/20 0.58
HPGD P15428 7/20 0.58
TNKS2 Q9H2K2 7/20 0.54
HSD17B10 Q99714 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.46
PBRM1 Q86U86 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
TNKS O95271 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43

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
SCHEMBL6124107 0.75 TNKS2 (0.80) ALDH1A1KDM4EHPGDTNKS2HSD17B10
SCHEMBL6124101 0.75 TNKS2 (0.80) ALDH1A1KDM4EHPGDTNKS2HSD17B10
SCHEMBL6124214 0.75 TNKS2 (0.80) ALDH1A1KDM4EHPGDTNKS2HSD17B10
SCHEMBL6124226 0.75 TNKS2 (0.73) ALDH1A1KDM4EHPGDTNKS2HSD17B10
SCHEMBL30172352 0.75 TNKS2 (0.73) ALDH1A1KDM4EHPGDTNKS2HSD17B10
SCHEMBL28645238 0.74 KDM4E (1.00) ALDH1A1KDM4EHPGDTNKS2HSD17B10
SCHEMBL6124228 0.72 TNKS2 (0.71) ALDH1A1KDM4EHPGDTNKS2HSD17B10
SCHEMBL29913499 0.71 TNKS2 (1.00) ALDH1A1KDM4EHPGDTNKS2HSD17B10
SCHEMBL5248973 0.71 TNKS2 (1.00) ALDH1A1KDM4EHPGDTNKS2HSD17B10
SCHEMBL15648835 0.69 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDTNKS2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2004/4885KDM4E 3008/4885HPGD 1862/4885
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION TUBB3, TUBB1, TUBB ALDH1A1 2066/4885KDM4E 4769/4885HPGD 3884/4885
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B ALDH1A1 2004/4885KDM4E 3008/4885HPGD 1862/4885
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis TP53, MAP2, MAP1LC3B ALDH1A1 2004/4885KDM4E 3008/4885HPGD 1862/4885

“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.