SCHEMBL7063655

SCHEMBL7063655

O=C(O)N1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 6/20 0.51
MEN1 O00255 6/20 0.49
P2RY12 Q9H244 5/20 0.49
MAPT P10636 5/20 0.44
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL7063657 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1P2RY12MAPT
SCHEMBL5849764 0.84 P2RY12 (0.69) ALDH1A1KDM4EMEN1P2RY12MAPT
SCHEMBL5849588 0.84 P2RY12 (0.68) ALDH1A1KDM4EMEN1P2RY12KMT2A
SCHEMBL5848640 0.84 KIT (0.51) ALDH1A1KDM4EMEN1P2RY12MAPT
SCHEMBL7062965 0.80 MEN1 (0.56) ALDH1A1KDM4EMEN1P2RY12MAPT
SCHEMBL7063546 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1P2RY12MAPT
SCHEMBL7064496 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1P2RY12MAPT
SCHEMBL7060963 0.77 MEN1 (0.78) ALDH1A1KDM4EMEN1P2RY12MAPT
SCHEMBL7059713 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1P2RY12MAPT
SCHEMBL7062128 0.76 KDM4E (0.83) ALDH1A1KDM4EMEN1P2RY12MAPT

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-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 ALDH1A1 3346/4885KDM4E 2962/4885MEN1 2603/4885

“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.