SCHEMBL13613536

SCHEMBL13613536

CCCCC(=O)NC(=O)CCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CASP2 P42575 1/20 0.52
CES1 P23141 2/20 0.50
CTSD P07339 1/20 0.50
CES2 O00748 1/20 0.50
HSP90AA1 P07900 1/20 0.50
FAAH O00519 2/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL5147801 0.95 ALDH1A1 (0.59) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL8013079 0.92 HSP90AA1 (0.60) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL1685052 0.90 HSP90AA1 (0.64) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL28770005 0.90 HSP90AA1 (0.62) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL1643947 0.89 HDAC3 (0.63) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL27390560 0.87 MAPT (0.64) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL175601 0.86 HSP90AA1 (0.65) MAPTKMT2AMEN1ALDH1A1KDM4E
Water SCHEMBL29155573 0.86 HDAC3 (0.60) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL5932679 0.84 HSP90AA1 (0.70) MAPTKMT2AMEN1ALDH1A1CES1
SCHEMBL10481745 0.84 HSP90AA1 (0.70) MAPTKMT2AMEN1ALDH1A1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557849-A Method for synthesizing imide compound under induction of NBS and water by visible light 西南大学 2023-01-03 CN disclosed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A MAPT 1842/4885KMT2A 1424/4885MEN1 3296/4885

“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.