SCHEMBL4511136

SCHEMBL4511136

CSC(=C[N+](=O)[O-])NCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
EPHX1 P07099 4/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2D6 P10635 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ADH1B P00325 1/20 0.36

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
SCHEMBL4511130 1.00 ALDH1A1 (0.41) ALDH1A1MAPTEPHX1LMNAHTT
SCHEMBL8544399 0.80 ALDH1A1 (0.38) ALDH1A1MAPTLMNAHTT
SCHEMBL8544397 0.80 ALDH1A1 (0.38) ALDH1A1MAPTLMNAHTT
SCHEMBL28871137 0.79 EPHX1 (0.46) ALDH1A1EPHX1POLBCA12CA1
SCHEMBL7720162 0.78 ALDH1A1 (0.40) ALDH1A1MAPTEPHX1POLBL3MBTL1
SCHEMBL7720159 0.78 ALDH1A1 (0.40) ALDH1A1MAPTEPHX1POLBL3MBTL1
SCHEMBL11106362 0.76 ALDH1A1 (0.44) ALDH1A1MAPTEPHX1LMNAHTT
SCHEMBL11106359 0.76 ALDH1A1 (0.44) ALDH1A1MAPTEPHX1LMNAHTT
SCHEMBL10425825 0.73 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHTTPOLB
SCHEMBL10425832 0.73 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B ALDH1A1 240/4885MAPT 4149/4885EPHX1 968/4885

“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.