SCHEMBL4837520

SCHEMBL4837520

COc1ccc(N(C)c2nc(NC3CCCCCC3)nc(NC3CCN(C)CC3)n2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 12/20 0.49
EHMT1 Q9H9B1 11/20 0.49
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
CCR4 P51679 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 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
SCHEMBL5457407 0.84 EHMT2 (0.53) EHMT2EHMT1MAPTSMN1; SMN2LMNA
SCHEMBL5032290 0.82 MAPT (0.50) EHMT2EHMT1MAPTSMN1; SMN2NPSR1
Citric Acid SCHEMBL6016965 0.77 EHMT2 (0.43) EHMT2EHMT1MAPTLMNAALDH1A1
SCHEMBL4837987 0.77 EHMT2 (0.50) EHMT2EHMT1MAPTSMN1; SMN2KMT2A
SCHEMBL4839209 0.77 EHMT2 (0.50) EHMT2EHMT1MAPTSMN1; SMN2LMNA
SCHEMBL5420636 0.76 EHMT2 (0.44) EHMT2EHMT1MAPTNPSR1HTT
SCHEMBL5030769 0.75 MAPT (0.50) EHMT2EHMT1MAPTSMN1; SMN2NPSR1
SCHEMBL6016637 0.73 EHMT2 (0.48) EHMT2EHMT1KDM1ARCOR1
SCHEMBL6017083 0.72 BCL6 (0.47) EHMT2EHMT1KDM1ARCOR1
SCHEMBL4832215 0.71 EHMT2 (0.44) EHMT2EHMT1MAPTSMN1; SMN2KMT2A

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-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EHMT2 2905/4885EHMT1 2811/4885MAPT 3539/4885

“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.