SCHEMBL5849567

SCHEMBL5849567

Cn1nccc1NC(=O)CCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1863466 0.82 POLB (0.48) POLBHSP90AA1HSP90AB1KMT2A
SCHEMBL26789473 0.79 POLB (0.59) POLBHSP90AA1HSP90AB1KMT2AALDH1A1
SCHEMBL21383369 0.78 KMT2A (0.55) POLBHSP90AA1HSP90AB1KMT2AALDH1A1
SCHEMBL3268236 0.77 KMT2A (0.57) POLBHSP90AA1HSP90AB1KMT2AALDH1A1
SCHEMBL26091092 0.76 POLB (0.47) POLBHSP90AA1HSP90AB1KMT2AALDH1A1
SCHEMBL18381330 0.73 MEN1 (0.43) POLBKMT2AALDH1A1GAAMEN1
SCHEMBL49946 0.73 KMT2A (0.57) POLBHSP90AA1HSP90AB1KMT2AALDH1A1
SCHEMBL9523223 0.72 KMT2A (0.55) POLBHSP90AA1HSP90AB1KMT2AALDH1A1
SCHEMBL19059738 0.71 SMN1; SMN2 (0.42) KMT2AGAAMEN1KDM4EMAPK1
SCHEMBL2632922 0.70 KMT2A (0.62) POLBHSP90AA1HSP90AB1KMT2AALDH1A1

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-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 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 (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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 POLB 3885/4885HSP90AA1 769/4885HSP90AB1 1132/4885

“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.