SCHEMBL6560749

SCHEMBL6560749

COc1nc(C)c(C)nc1NC(=O)N1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PDGFRB P09619 2/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL7803113 0.89 MEN1 (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6562785 0.87 KMT2A (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6562212 0.85 PHGDH (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6561294 0.84 MAPT (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6562716 0.84 PHGDH (0.48) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6559676 0.83 MAPT (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6559653 0.83 MAPT (0.39) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6559695 0.83 MAPT (0.43) MAPTKMT2AALDH1A1SMN1; SMN2PDGFRB
SCHEMBL7794978 0.82 MEN1 (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6561018 0.80 RBP4 (0.52) MAPTMEN1KMT2AALDH1A1LMNA

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 3 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

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 MAPT 4877/4885MEN1 3862/4885KMT2A 2664/4885

“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.