SCHEMBL14712875

SCHEMBL14712875

Cc1ccc(/C=C/C=C2C(=O)NC(=S)NC2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.71
MAPT P10636 6/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.53
F2 P00734 1/20 0.52
MDM2 Q00987 1/20 0.47
SIRT2 Q8IXJ6 3/20 0.45
SIRT1 Q96EB6 2/20 0.45
SIRT5 Q9NXA8 2/20 0.45
APP P05067 4/20 0.44
SNCA P37840 4/20 0.44
SIRT3 Q9NTG7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
NTSR1 P30989 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL14713048 0.87 METAP1 (0.70) METAP1MAPTALDH1A1MEN1LMNA
SCHEMBL14712988 0.84 METAP1 (0.71) METAP1MAPTALDH1A1MEN1LMNA
SCHEMBL13848519 0.83 METAP1 (1.00) METAP1MAPTALDH1A1MEN1LMNA
SCHEMBL4044276 0.83 METAP1 (1.00) METAP1MAPTALDH1A1MEN1LMNA
SCHEMBL8026269 0.83 METAP1 (1.00) METAP1MAPTALDH1A1MEN1LMNA
SCHEMBL14713027 0.83 MAPT (0.77) METAP1MAPTALDH1A1MEN1LMNA
SCHEMBL14712871 0.80 METAP1 (0.66) METAP1MAPTALDH1A1MEN1LMNA
SCHEMBL20243737 0.76 METAP1 (0.46) METAP1MAPTALDH1A1MEN1LMNA
SCHEMBL14712992 0.75 METAP1 (0.63) METAP1MAPTALDH1A1MEN1LMNA
SCHEMBL14712900 0.74 MAPT (0.56) METAP1MAPTALDH1A1MEN1LMNA

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 METAP1 2044/4885MAPT 2828/4885ALDH1A1 186/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 METAP1 2416/4885MAPT 3272/4885ALDH1A1 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.