SCHEMBL20156973

SCHEMBL20156973

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.42
HDAC2 Q92769 2/20 0.40
FBP1 P09467 1/20 0.40
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APP P05067 2/20 0.35

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
SCHEMBL19820143 0.87 HDAC2 (0.42) METAP1HDAC2FBP1CTSLCTSB
SCHEMBL20243737 0.82 METAP1 (0.46) METAP1CTSLCTSBMAPTALDH1A1
SCHEMBL14712873 0.82 METAP1 (0.64) METAP1HDAC2FBP1CTSLCTSB
SCHEMBL14712871 0.79 METAP1 (0.66) METAP1HDAC2FBP1CTSLCTSB
SCHEMBL9971655 0.71 HDAC2 (0.58) HDAC2FBP1MAPTALDH1A1LMNA
SCHEMBL628779 0.68 ALDH1A1 (0.54) HDAC2FBP1MAPTALDH1A1LMNA
SCHEMBL1819167 0.68 ALDH1A1 (0.54) HDAC2FBP1MAPTALDH1A1LMNA
SCHEMBL20156860 0.68 F2 (0.63) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL8699093 0.67 FBP1 (0.59) HDAC2FBP1MAPTALDH1A1LMNA
SCHEMBL21574805 0.67 FBP1 (0.59) HDAC2FBP1MAPTALDH1A1LMNA

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 METAP1 2044/4885HDAC2 870/4885FBP1 825/4885

“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.