SCHEMBL20157015

SCHEMBL20157015

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.42
ALDH1A1 P00352 10/20 0.42
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
NPC1 O15118 1/20 0.42
AKR1B1 P15121 1/20 0.42
POLB P06746 4/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
MDM2 Q00987 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
MAPK1 P28482 5/20 0.40
BCL2A1 Q16548 1/20 0.39
METAP1 P53582 1/20 0.36
LMNA P02545 3/20 0.36
APP P05067 1/20 0.36
SNCA P37840 1/20 0.36

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
SCHEMBL20157069 0.88 ALDH1A1 (0.37) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL12901003 0.77 MEN1 (0.54) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL14712965 0.77 MAPT (0.64) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL22958506 0.74 MAPT (0.38) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL12900996 0.71 MEN1 (0.39) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL14712964 0.70 MAPT (0.61) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL8211219 0.69 MAPT (0.73) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL1101968 0.69 MAPT (0.73) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL8211228 0.69 MAPT (0.73) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL8211222 0.69 MAPT (0.73) MAPTALDH1A1KMT2AMEN1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134691-A1 BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY NUHOPE, LLC (US) 2018-05-17 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 MAPT 2828/4885ALDH1A1 186/4885KMT2A 2749/4885

“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.