SCHEMBL14712993

SCHEMBL14712993

CCN1C(=O)C(=C/C=C/c2ccccc2OC)C(=O)N(CC)C1=S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.57
HPGD P15428 3/20 0.57
POLB P06746 2/20 0.57
KDM4E B2RXH2 2/20 0.57
THRB P10828 1/20 0.57
HTT P42858 1/20 0.57
MDM2 Q00987 1/20 0.57
KDM4C Q9H3R0 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TNFRSF1A P19438 4/20 0.45
NR1H3 Q13133 1/20 0.44
NFE2L2 Q16236 3/20 0.43
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14713052 0.84 KMT2A (0.53) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL14712962 0.84 KMT2A (0.53) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL14712874 0.84 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL14713062 0.84 NR1H3 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16543006 0.82 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL14712878 0.82 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL14712965 0.80 MAPT (0.64) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16543009 0.78 MAPT (0.55) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16543020 0.78 MAPT (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL14713053 0.77 NR1H3 (0.49) MEN1KMT2AALDH1A1MAPTHPGD

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-9994554-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-06-12 US disclosed
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-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-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 MEN1 2410/4885KMT2A 2749/4885ALDH1A1 186/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 MEN1 1885/4885KMT2A 3262/4885ALDH1A1 200/4885

“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.