SCHEMBL5280792

SCHEMBL5280792

CC(C)(C)OC(=O)NCCCCCNC(=O)COCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
RAB9A P51151 1/20 0.45
CYP3A4 P08684 1/20 0.45
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MIF P14174 1/20 0.42
PLK1 P53350 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
DRD2 P14416 2/20 0.41

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
SCHEMBL5284515 1.00 POLB (0.52) POLBGAATDP1CA1CA2
SCHEMBL6037906 0.88 CA1 (0.45) POLBGAACA1CA2RAB9A
SCHEMBL24812942 0.82 IDO1 (0.47) POLBGAATDP1CA1CA2
SCHEMBL5286752 0.81 RAB9A (0.47) RAB9ALMNAKMT2A
SCHEMBL5287408 0.81 RAB9A (0.47) RAB9ALMNAKMT2A
SCHEMBL5282279 0.80 ITGB3 (0.47) RAB9ALMNAKMT2A
SCHEMBL5280483 0.80 RAB9A (0.48) GAARAB9ALMNAKMT2A
SCHEMBL6037902 0.79 RAB9A (0.50) GAARAB9ALMNAKMT2A
SCHEMBL3437047 0.79 GAA (0.56) POLBGAATDP1CA1CA2
SCHEMBL5287840 0.79 NAMPT (0.41) RAB9APLK1

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 5 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
EP-1761537-A1 PYRROLO[2,1-C][1,4]BENZODIAZEPINE-NAPTHALIMIDE CONJUGATES LINKED THROUGH PIPERAZINE MOIETY AND PROCESS FOR PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2007-03-14 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-2006003670-A1 PYRROLO[2,1-C][1,4]BENZODIAZEPINE-NAPTHALIMIDE CONJUGATES LINKED THROUGH PIPERAZINE MOIETY AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-01-12 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 POLB 820/4885GAA 569/4885TDP1 1008/4885

“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.