SCHEMBL6562785

SCHEMBL6562785

COc1nc2ccccc2nc1NC(=O)N1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PDGFRB P09619 3/20 0.45
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT3 P36888 1/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
RBP4 P02753 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL7794978 0.95 MEN1 (0.45) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6560749 0.87 MAPT (0.49) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6559685 0.86 MAPT (0.50) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6559618 0.85 MAPT (0.44) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6560691 0.85 RBP4 (0.51) KMT2AMEN1MAPTALDH1A1PDGFRB
SCHEMBL3442752 0.84 ALDH1A1 (0.53) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6775926 0.84 TP53 (0.44) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6561048 0.84 MAPT (0.43) KMT2AMEN1MAPTALDH1A1PDGFRB
SCHEMBL6560742 0.84 MAPT (0.48) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL4927285 0.83 MAPT (0.55) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2664/4885MEN1 3862/4885MAPT 4877/4885

“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.