SCHEMBL5400908

SCHEMBL5400908

O=C(O)CNc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
FNTA P49354 4/20 0.52
FNTB P49356 4/20 0.52
MMP1 P03956 2/20 0.48
CA2 P00918 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX12 P18054 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47

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
Hydrochloric Acid SCHEMBL11718612 0.89 FFAR1 (0.54) ALDH1A1CA2MAPTMEN1GAA
SCHEMBL159434 0.89 FFAR1 (0.54) ALDH1A1CA2MAPTMEN1GAA
SCHEMBL28847226 0.87 FFAR1 (0.53) ALDH1A1CA2MAPTKDM4EMEN1
SCHEMBL10538012 0.87 FFAR1 (0.53) ALDH1A1CA2MAPTKDM4EMEN1
SCHEMBL5954356 0.86 FFAR1 (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5411982 0.80 POLB (0.62) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL8729773 0.80 KMT2A (0.60) ALDH1A1L3MBTL1MAPTMEN1KMT2A
Dioxane SCHEMBL28200326 0.79 FFAR1 (0.46) ALDH1A1CA2MAPTKDM4EMEN1
SCHEMBL11715952 0.79 FFAR1 (0.46) ALDH1A1CA2MAPTMEN1GAA
SCHEMBL5692310 0.79 ALDH1A1 (0.44) ALDH1A1CA2MMP2MMP9CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 ALDH1A1 3023/4885L3MBTL1 1343/4885FNTA 279/4885

“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.