SCHEMBL6124233

SCHEMBL6124233

Cc1ccccc1-c1ccc(C2NC(=O)c3cc([N+](=O)[O-])ccc3N2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 7/20 0.49
PKM P14618 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TNKS O95271 2/20 0.44
PARP3 Q9Y6F1 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
PBRM1 Q86U86 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP19A1 P11511 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPBWR1 P48145 1/20 0.41
CAPN9 O14815 1/20 0.41
CASP3 P42574 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6124127 0.87 KMT2A (0.52) TNKS2PKMKMT2AMEN1TNKS
SCHEMBL11286970 0.84 TNKS2 (0.58) TNKS2PKMKMT2AMEN1ALDH1A1
SCHEMBL6124115 0.81 TNKS2 (0.72) TNKS2KMT2AMEN1TNKSPARP3
SCHEMBL6124128 0.79 HTR1A (0.44) KMT2AMEN1MAPTCYP19A1SMN1; SMN2
SCHEMBL28837986 0.79 TNKS2 (0.66) TNKS2PKMKMT2AMEN1TNKS
SCHEMBL5277109 0.74 CA12 (0.53) PKMKMT2AMEN1ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL7244192 0.72 CA12 (0.51) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL12591983 0.72 MEN1 (0.52) TNKS2PKMKMT2AMEN1ALDH1A1
SCHEMBL4259970 0.72 KDM4E (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19386770 0.72 CASP3 (0.57) KMT2AMEN1ALDH1A1MAPTGAA

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 9 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 TNKS2 476/4885PKM 3984/4885KMT2A 2368/4885
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B TNKS2 476/4885PKM 3984/4885KMT2A 2368/4885

“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.