SCHEMBL14712966

SCHEMBL14712966

CCN1C(=O)/C(=C\C=C\c2ccccc2C)C(=O)NC1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.51
MAPT P10636 12/20 0.51
MEN1 O00255 11/20 0.51
ALDH1A1 P00352 10/20 0.51
RECQL P46063 6/20 0.51
POLB P06746 6/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
APEX1 P27695 2/20 0.51
MCL1 Q07820 2/20 0.51
THRB P10828 2/20 0.51
HPGD P15428 2/20 0.51
NSD2 O96028 1/20 0.51
ALOX12 P18054 1/20 0.51
DNMT1 P26358 1/20 0.51
DUSP3 P51452 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
BCL2A1 Q16548 2/20 0.45

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
SCHEMBL16543001 1.00 KMT2A (0.51) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL14713029 0.89 KMT2A (0.51) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL14712870 0.89 KMT2A (0.51) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL14713052 0.86 KMT2A (0.53) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL14712962 0.86 KMT2A (0.53) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL14712995 0.84 BCL2A1 (0.61) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL14712869 0.84 BCL2A1 (0.61) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL14712874 0.84 ALDH1A1 (0.60) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL16543020 0.80 MAPT (0.52) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL14712882 0.79 MEN1 (0.51) KMT2AMAPTMEN1ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994554-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-06-12 US disclosed
US-20180134691-A1 BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY NUHOPE, LLC (US) 2018-05-17 US disclosed
US-9878998-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-01-30 US disclosed
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY CONNOR, JAMES R. 2015-03-05 US disclosed
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY CONNOR, JAMES R. 2015-03-05 US disclosed
WO-2013024447-A1 COMPOUNDS FOR USE IN CANCER THERAPY NUHOPE, LLC (US) 2013-02-21 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 (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-20180134691-A1 BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAX KMT2A 2749/4885MAPT 2828/4885MEN1 2410/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 KMT2A 3262/4885MAPT 3272/4885MEN1 1885/4885

“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.