SCHEMBL6728138

SCHEMBL6728138

COC(=O)CN1C(=O)COc2ccc(O)cc21

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
HTT P42858 2/20 0.59
USP2 O75604 1/20 0.59
MEN1 O00255 2/20 0.58
TSHR P16473 2/20 0.56
PLK1 P53350 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4260903 0.88 HTT (0.77) KMT2AHTTUSP2MEN1TSHR
SCHEMBL7270745 0.87 TSHR (0.74) KMT2AHTTUSP2MEN1TSHR
SCHEMBL2882245 0.85 KMT2A (0.62) KMT2AHTTUSP2MEN1TSHR
SCHEMBL27621244 0.85 KMT2A (0.62) KMT2AHTTUSP2MEN1TSHR
SCHEMBL4968483 0.83 ALDH1A1 (0.66) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL25425857 0.81 KMT2A (0.58) KMT2AHTTUSP2MEN1TSHR
SCHEMBL5800184 0.79 KMT2A (0.54) KMT2AHTTUSP2MEN1TSHR
SCHEMBL12975568 0.77 PIK3CG (0.56) KMT2AHTTUSP2
SCHEMBL2882004 0.77 PIK3CG (0.56) KMT2AHTTUSP2
SCHEMBL4256753 0.76 HTT (0.58) KMT2AHTTUSP2MEN1TSHR

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
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 KMT2A 4042/4885HTT 4243/4885USP2 1546/4885

“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.