SCHEMBL3616689

SCHEMBL3616689

O=C(Nc1nc2cc(Cl)ccc2o1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
FFAR2 O15552 1/20 0.49
FBP1 P09467 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
AGTR1 P30556 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ANO1 Q5XXA6 1/20 0.47
SLC2A1 P11166 1/20 0.46
POLB P06746 2/20 0.45
CETP P11597 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL3607740 0.91 MAPT (0.52) KCNH2KMT2AALDH1A1MEN1GAA
SCHEMBL7130372 0.83 PPARG (0.63) KMT2AMEN1FBP1SMN1; SMN2MAPT
SCHEMBL13265985 0.78 PPARG (0.50) KCNH2KMT2AMEN1GAAFBP1
SCHEMBL3613050 0.77 MAPT (0.48) KCNH2KMT2AALDH1A1MEN1GAA
SCHEMBL13265900 0.77 CETP (0.49) KCNH2ALDH1A1FBP1SMN1; SMN2KDM4E
SCHEMBL13265936 0.77 FBP1 (0.47) KCNH2ALDH1A1FBP1SMN1; SMN2KDM4E
SCHEMBL3777315 0.76 KCNH2 (0.63) KCNH2KMT2AMEN1GAAFFAR2
SCHEMBL26035008 0.75 POLB (0.53) KCNH2KMT2AALDH1A1MEN1GAA
SCHEMBL8125417 0.75 SCD (0.64) KCNH2KMT2AMEN1GAAFFAR2
SCHEMBL4521584 0.75 MAPT (0.65) SMN1; SMN2KDM4EMAPTSLC2A1POLB

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-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 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 (2 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-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 KCNH2 1830/4885KMT2A 4046/4885ALDH1A1 863/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 KCNH2 3852/4885KMT2A 2406/4885ALDH1A1 3103/4885

“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.