SCHEMBL7062034

SCHEMBL7062034

CCCc1csc2ncnc(N3CCN(C(=O)O)CC3)c12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
P2RY12 Q9H244 4/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 2/20 0.42

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
SCHEMBL5851166 0.85 P2RY12 (0.61) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL5849182 0.85 KMT2A (0.53) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL5849157 0.85 P2RY12 (0.60) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL7064279 0.77 MEN1 (0.65) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL5849656 0.73 KMT2A (0.44) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL3404456 0.73 KMT2A (0.72) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL7059743 0.73 SMN1; SMN2 (0.58) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL16636980 0.73 KMT2A (0.74) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL5849659 0.73 KMT2A (0.41) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL7062968 0.72 MEN1 (0.61) KMT2AMEN1ALDH1A1NPSR1LMNA

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 KMT2A 1823/4885MEN1 2603/4885ALDH1A1 3346/4885

“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.