SCHEMBL6527472

SCHEMBL6527472

O=C(O)CN(CCCN(CC(=O)O)CC(Cc1ccc([N+](=O)[O-])cc1)N(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
MC4R P32245 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAOB P27338 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL10494760 0.95 KCNH2 (0.49) KCNH2MC4RMEN1KMT2ALMNA
SCHEMBL9136144 0.91 KCNH2 (0.49) KCNH2MC4RMEN1KMT2ALMNA
SCHEMBL12793731 0.87 KCNH2 (0.43) KCNH2MC4RMEN1KMT2ALMNA
SCHEMBL6560916 0.86 KCNH2 (0.44) KCNH2MC4RMEN1KMT2ALMNA
SCHEMBL405660 0.85 KCNH2 (0.44) KCNH2MEN1KMT2ALMNATDP1
SCHEMBL14598859 0.85 KCNH2 (0.44) KCNH2MEN1KMT2ALMNATDP1
SCHEMBL438993 0.85 KCNH2 (0.44) KCNH2MEN1KMT2ALMNATDP1
SCHEMBL15388574 0.84 KCNH2 (0.51) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL28728445 0.83 KCNH2 (0.45) KCNH2MEN1KMT2ALMNAALDH1A1
SCHEMBL6520314 0.83 SOAT1 (0.36) LMNATDP1CYP2C19TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354512-B2 Ligand and metal complex NATIONAL CHIAO TUNG UNIVERSITY (TW) 2013-01-15 US disclosed
US-8354512-B2 Ligand and metal complex NATIONAL CHIAO TUNG UNIVERSITY (TW) 2013-01-15 US disclosed
US-20110065905-A1 Ligand and metal complex NATIONAL CHIAO TUNG UNIVERSITY (TW) 2011-03-17 US disclosed
US-20110065905-A1 Ligand and metal complex NATIONAL CHIAO TUNG UNIVERSITY (TW) 2011-03-17 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-20110065905-A1 Ligand and metal complex CD74, SLC39A14, PYM1 KCNH2 2609/4885MC4R 782/4885MEN1 144/4885

“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.