SCHEMBL3913610

SCHEMBL3913610

NCC1(c2ccc([N+](=O)[O-])cc2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KCNJ1 P48048 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.43
ICMT O60725 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
CYP1B1 Q16678 1/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
HTT P42858 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL2817503 0.89 MAOA (0.52) ALDH1A1LOXL2MAOAMAOBTAAR1
SCHEMBL16423195 0.84 L3MBTL1 (0.47) L3MBTL1ALDH1A1LMNAMAPTKCNJ1
SCHEMBL3905346 0.81 HTT (0.46) L3MBTL1ALDH1A1LMNAMAPTKCNJ1
SCHEMBL14385444 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1LOXL2LMNAMAPT
SCHEMBL16357119 0.77 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAMAPTKCNJ1
SCHEMBL3416399 0.75 LMNA (0.48) L3MBTL1LMNAICMTMAOAMAOB
SCHEMBL2701757 0.75 SLC6A3 (0.68) LMNAICMTMAOAMAOBTAAR1
SCHEMBL2701343 0.75 SLC6A3 (0.68) MAOAMAOBTAAR1SLC6A3SLC6A4
SCHEMBL1492948 0.74 MAOA (0.73) ALDH1A1ICMTMAOAMAOBTAAR1
SCHEMBL3905441 0.74 HTT (0.48) L3MBTL1ALDH1A1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
EP-2016070-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-01-13 EP disclosed
EP-2016070-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-01-13 EP disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-8859602-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859602-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859602-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
EP-2016070-A1 INHIBITORS OF C-FMS KINASE Janssen Pharmaceutica, N.V. (BE) 2009-01-21 EP disclosed
WO-2007124319-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
WO-2007124319-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 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-20140378457-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES L3MBTL1 1001/4885ALDH1A1 4702/4885LOXL2 1636/4885
US-20070249680-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES L3MBTL1 1001/4885ALDH1A1 4702/4885LOXL2 1636/4885

“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.