SCHEMBL19820144

SCHEMBL19820144

C=CCN1C(=O)/C(=C\C=C\c2ccco2)C(=O)N(CC)C1S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 17/20 0.56
KMT2A Q03164 17/20 0.56
MAPT P10636 17/20 0.56
POLB P06746 13/20 0.56
ALDH1A1 P00352 10/20 0.56
L3MBTL1 Q9Y468 10/20 0.56
HTT P42858 8/20 0.56
HPGD P15428 7/20 0.56
KDM4E B2RXH2 3/20 0.56
THRB P10828 2/20 0.56
MDM2 Q00987 1/20 0.56
KDM4C Q9H3R0 1/20 0.56
DUSP3 P51452 1/20 0.52
RECQL P46063 16/20 0.46
NPSR1 Q6W5P4 11/20 0.46
MAPK1 P28482 10/20 0.46
MITF O75030 9/20 0.46
GFER P55789 3/20 0.46
LMNA P02545 5/20 0.44
NSD2 O96028 3/20 0.44

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
SCHEMBL20243715 0.94 DUSP3 (0.56) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL20243775 0.82 MAPT (0.51) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14712954 0.77 MEN1 (0.84) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL20243774 0.75 MAPT (0.56) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14712971 0.75 DUSP3 (0.73) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14713067 0.74 MEN1 (0.81) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL20156972 0.72 MAPT (0.49) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14712947 0.72 MEN1 (1.00) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL20243758 0.69 ALDH1A1 (0.36) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL16542997 0.68 DUSP3 (1.00) 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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.