SCHEMBL5282539

SCHEMBL5282539

O=C(Cl)COCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

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
HRH3 Q9Y5N1 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL29288482 0.82 CA1 (0.49) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL360819 0.82 NR4A2 (0.50) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL30984448 0.81 GRM5 (0.43) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL7222950 0.81 RXRA (0.45) HRH3
SCHEMBL5279148 0.81 MAOB (0.51) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL6038136 0.81 IDO1 (0.45) IDO1AGXTNR4A2GRM5MAOB
SCHEMBL7221565 0.81 RAB9A (0.50) AGXTMAOBPARP10MMP1MMP2
SCHEMBL5056120 0.80 IDO1 (0.50) IDO1MAOBMMP1MMP12HRH3
SCHEMBL73270 0.80 ALDH1A1 (0.59) GRM5
SCHEMBL30984470 0.78 PTPN1 (0.44) IDO1AGXTNR4A2GRM5MAOB

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-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.