SCHEMBL14712947

SCHEMBL14712947

CCN1C(=O)C(=C/C=C/c2ccco2)C(=O)N(CC)C1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 16/20 1.00
KMT2A Q03164 16/20 1.00
MAPT P10636 15/20 1.00
POLB P06746 11/20 1.00
ALDH1A1 P00352 9/20 1.00
L3MBTL1 Q9Y468 8/20 1.00
HPGD P15428 5/20 1.00
HTT P42858 5/20 1.00
KDM4E B2RXH2 4/20 1.00
THRB P10828 2/20 1.00
KDM4C Q9H3R0 2/20 1.00
MDM2 Q00987 1/20 1.00
RECQL P46063 13/20 0.60
APEX1 P27695 4/20 0.60
NSD2 O96028 4/20 0.60
ALOX12 P18054 2/20 0.60
DNMT1 P26358 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
MCL1 Q07820 2/20 0.60
DUSP3 P51452 1/20 0.57

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
SCHEMBL14712954 0.92 MEN1 (0.84) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14713067 0.89 MEN1 (0.81) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL11149254 0.85 MEN1 (0.73) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14712971 0.85 DUSP3 (0.73) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL3471120 0.84 MEN1 (0.80) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL3471124 0.84 MEN1 (0.80) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14712984 0.84 MEN1 (0.80) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14712893 0.82 MEN1 (0.74) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14712965 0.78 MAPT (0.64) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL16543007 0.77 MEN1 (0.61) MEN1KMT2AMAPTPOLBALDH1A1

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 2749/4885MAPT 2828/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 MEN1 1885/4885KMT2A 3262/4885MAPT 3272/4885

“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.