SCHEMBL14712889

SCHEMBL14712889

C=CCN1C(=O)/C(=C\c2ccc(O)c(O)c2)C(=O)NC1=S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.58
SIRT5 Q9NXA8 1/20 0.58
KMT2A Q03164 8/20 0.58
MEN1 O00255 6/20 0.58
ALDH1A1 P00352 6/20 0.58
MAPT P10636 6/20 0.58
POLB P06746 5/20 0.58
HPGD P15428 5/20 0.58
LMNA P02545 4/20 0.58
PKM P14618 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
MCL1 Q07820 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM1A O60341 2/20 0.57
MAOA P21397 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
RECQL P46063 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL14680172 0.79 SIRT1 (0.70) SIRT1SIRT5KMT2AMEN1ALDH1A1
SCHEMBL14680296 0.77 KMT2A (0.64) SIRT1SIRT5KMT2AMEN1ALDH1A1
SCHEMBL14712974 0.76 METAP1 (0.58) SIRT1SIRT5KMT2AMEN1ALDH1A1
SCHEMBL30019611 0.76 METAP1 (0.58) SIRT1SIRT5KMT2AMEN1ALDH1A1
SCHEMBL5994165 0.71 KMT2A (0.80) SIRT1SIRT5KMT2AMEN1ALDH1A1
SCHEMBL22523870 0.70 NPC1 (0.60) SIRT1SIRT5KMT2AMEN1MAPT
SCHEMBL2805861 0.70 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1MAPTKDM1A
SCHEMBL30020313 0.70 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1MAPTKDM1A
SCHEMBL16542994 0.70 KMT2A (0.80) SIRT1SIRT5KMT2AMEN1ALDH1A1
SCHEMBL21364003 0.70 KMT2A (0.55) SIRT1SIRT5KMT2AMEN1ALDH1A1

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 SIRT1 1331/4885SIRT5 1163/4885KMT2A 2749/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 SIRT1 837/4885SIRT5 835/4885KMT2A 3262/4885

“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.