SCHEMBL6038136

SCHEMBL6038136

[NH]C(=O)COCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
NR4A2 P43354 2/20 0.45
GRM5 P41594 2/20 0.44
MAOB P27338 5/20 0.44
PARP10 Q53GL7 1/20 0.44
MAOA P21397 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
APP P05067 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
SCHEMBL360819 0.82 NR4A2 (0.50) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL5282539 0.81 IDO1 (0.45) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL5279148 0.81 MAOB (0.51) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL1170286 0.80 TSHR (0.56) GRM5ALDH1A1
SCHEMBL30984448 0.78 GRM5 (0.43) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL30984473 0.78 GRM5 (0.43) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL30984470 0.78 PTPN1 (0.44) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL7888039 0.76 IDO1 (0.64) IDO1AGXTNR4A2MAOBPARP10
SCHEMBL7501972 0.76 MMP1 (0.49) IDO1AGXTNR4A2MAOBPARP10
Hydroxyamine SCHEMBL8923579 0.74 IDO1 (0.62) IDO1AGXTNR4A2MAOBPARP10

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 IDO1 1132/4885AGXT 587/4885NR4A2 1575/4885

“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.