SCHEMBL6561301

SCHEMBL6561301

COc1nc(C)c(C)nc1NC(=S)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 5/20 0.36
GAA P10253 4/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
IDO1 P14902 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6559651 0.86 L3MBTL1 (0.40) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL6560675 0.83 ALDH1A1 (0.50) KMT2AMAPTALDH1A1MEN1GAA
Piperazine SCHEMBL7803531 0.79 ALDH1A1 (0.35) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL8699464 0.76 MAPT (0.37) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6956205 0.75 SMN1; SMN2 (0.43) MAPTALDH1A1GAAHTTKDM4E
SCHEMBL6960156 0.74 ALDH1A1 (0.32) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL6956523 0.71 RAB9A (0.40) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL10579390 0.71 MAPT (0.56) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL6561300 0.70 GAA (0.39) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL6956643 0.69 SMN1; SMN2 (0.33) KMT2AMAPTALDH1A1MEN1GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100354271-C Piperazine derivatives and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2007-12-12 CN disclosed
EP-1075469-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2004-05-26 EP disclosed
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 US disclosed
CN-1296477-A Piperazine derivatives and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2001-05-23 CN disclosed
EP-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS KMT2A 2664/4885MAPT 4877/4885ALDH1A1 58/4885

“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.