SCHEMBL5098517

SCHEMBL5098517

COc1ccc([N+](=O)[O-])c(N2CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.62
MAPT P10636 12/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 6/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
TP53 P04637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL9515788 0.98 MAPT (0.63) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL5224742 0.92 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL5483633 0.88 MAPT (0.65) ALDH1A1MAPTL3MBTL1CYP2C19LMNA
SCHEMBL22471070 0.87 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL22471148 0.87 MAPT (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL22471135 0.86 MAPT (0.60) ALDH1A1MAPTLMNAPOLBMAPK1
SCHEMBL22470988 0.86 MAPT (0.50) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL2062011 0.86 MAPT (0.63) ALDH1A1MAPTL3MBTL1CYP2C19LMNA
SCHEMBL22471055 0.86 KDM4E (0.51) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL14334704 0.85 KDM4E (0.50) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19

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-7427683-B2 c-fms kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-23 US disclosed
EP-1812425-A2 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 EP disclosed
WO-2006047479-A2 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
US-20050131022-A1 C-fms kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-16 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-20050131022-A1 C-fms kinase inhibitors FLT3, FES, FGR ALDH1A1 4568/4885MAPT 296/4885L3MBTL1 1019/4885

“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.