SCHEMBL3016687

SCHEMBL3016687

COc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCC(N(Cc2cc4c(cn2)OCCO4)C(=O)O)C3)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.37
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3016694 1.00 KCNH2 (0.37) KCNH2MEN1ALDH1A1POLBMAPT
SCHEMBL3025535 0.89 KCNH2 (0.39) KCNH2
SCHEMBL3669003 0.80 KCNH2 (0.35) KCNH2
SCHEMBL3013394 0.77 KCNH2 (0.34) KCNH2ALDH1A1MAPTRAB9A
SCHEMBL3013221 0.76 MCHR1 (0.35) KCNH2
SCHEMBL3024834 0.75 KCNH2 (0.47) KCNH2
SCHEMBL3028019 0.74 MCHR1 (0.35) KCNH2
SCHEMBL3016030 0.73 KCNH2 (0.36) KCNH2
SCHEMBL3670277 0.72 KCNH2 (0.32) KCNH2
SCHEMBL3804841 0.69 KCNH2 (0.39) KCNH2

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
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH KCNH2 2445/4885MEN1 2498/4885ALDH1A1 4306/4885

“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.