SCHEMBL14712946

SCHEMBL14712946

C=CCN1C(=O)C(=C/C=C/c2ccccc2)C(=O)N(CC=C)C1=S

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
ALDH1A1 P00352 9/20 0.68
KMT2A Q03164 9/20 0.68
MEN1 O00255 7/20 0.68
MAPK1 P28482 7/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MITF O75030 2/20 0.68
PKM P14618 2/20 0.68
METAP1 P53582 2/20 0.51
APP P05067 1/20 0.49
SNCA P37840 1/20 0.49
DUSP3 P51452 1/20 0.47
CMA1 P23946 1/20 0.46
POLB P06746 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MDM2 Q00987 2/20 0.45
HTT P42858 2/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 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
SCHEMBL14712964 0.94 MAPT (0.61) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL16713171 0.89 MAPT (0.71) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL16713172 0.89 MAPT (0.71) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL16542994 0.83 KMT2A (0.80) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL14712965 0.83 MAPT (0.64) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL16724741 0.83 MAPT (0.64) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL16728132 0.81 MAPT (1.00) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL14712971 0.79 DUSP3 (0.73) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL20243774 0.77 MAPT (0.56) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL14712954 0.74 MEN1 (0.84) MAPTALDH1A1KMT2AMEN1MAPK1

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 MAPT 2828/4885ALDH1A1 186/4885KMT2A 2749/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 MAPT 3272/4885ALDH1A1 200/4885KMT2A 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.