SCHEMBL7062965

SCHEMBL7062965

O=C(O)N1CCN(c2ncnc3sc(Br)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 6/20 0.55
P2RY12 Q9H244 5/20 0.53
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 3/20 0.45
HRH4 Q9H3N8 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7063546 0.84 ALDH1A1 (0.58) MEN1ALDH1A1KDM4EP2RY12MAPT
SCHEMBL5849382 0.83 P2RY12 (0.74) MEN1ALDH1A1KDM4EP2RY12MAPT
SCHEMBL5849523 0.82 P2RY12 (0.74) MEN1ALDH1A1KDM4EP2RY12KMT2A
SCHEMBL5850542 0.82 KIT (0.54) MEN1ALDH1A1KDM4EP2RY12MAPT
SCHEMBL30623371 0.82 MEN1 (0.61) MEN1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7064496 0.81 ALDH1A1 (0.52) MEN1ALDH1A1KDM4EP2RY12MAPT
SCHEMBL7060963 0.81 MEN1 (0.78) MEN1ALDH1A1KDM4EP2RY12MAPT
SCHEMBL7059713 0.81 ALDH1A1 (0.55) MEN1ALDH1A1KDM4EP2RY12MAPT
SCHEMBL24695459 0.80 ALDH1A1 (0.62) MEN1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7063655 0.80 ALDH1A1 (0.51) MEN1ALDH1A1KDM4EP2RY12MAPT

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 MEN1 2603/4885ALDH1A1 3346/4885KDM4E 2962/4885

“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.