SCHEMBL3070837

SCHEMBL3070837

CC(=O)OCCc1ccc([N+](=O)[O-])s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
HTT P42858 6/20 0.44
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NR1D1 P20393 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NR1H3 Q13133 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 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
SCHEMBL29068719 0.82 ALDH1A1 (0.43) HTTL3MBTL1GAAALDH1A1SMN1; SMN2
SCHEMBL14571796 0.78 MAPT (0.46) MAPTHTTKDM4EL3MBTL1GAA
SCHEMBL12780984 0.76 ALDH1A1 (0.42) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8652324 0.76 SMN1; SMN2 (0.41) L3MBTL1GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL5182378 0.75 KMT2A (0.51) MAPTHTTKDM4EL3MBTL1GAA
SCHEMBL3057494 0.74 CA2 (0.41) GAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL4060893 0.74 ALDH1A1 (0.54) MAPTHTTKDM4EL3MBTL1GAA
SCHEMBL27748238 0.74 L3MBTL1 (0.44) KDM4EL3MBTL1GAAPOLBKMT2A
SCHEMBL7521198 0.74 MAPT (0.46) MAPTHTTKDM4EL3MBTL1GAA
SCHEMBL29068721 0.73 CA2 (0.37) GAAALDH1A1TDP1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267774-A1 P38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-10-21 US disclosed
US-20100267774-A1 P38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-10-21 US disclosed
US-20100267774-A1 P38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-10-21 US disclosed
EP-2220044-A1 P38 MAP KINASE INHIBITORS Chroma Therapeutics Limited (GB) 2010-08-25 EP disclosed
WO-2009060160-A1 P38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2009-05-14 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-20100267774-A1 P38 MAP KINASE INHIBITORS MAPK1, MAPK3, MAPK12 MAPT 3486/4885HTT 4647/4885KDM4E 4147/4885

“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.