SCHEMBL5455099

SCHEMBL5455099

COc1ccc(Oc2ccc(C(F)(F)F)cc2NC=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
KDM4E B2RXH2 3/20 0.65
MAPK1 P28482 2/20 0.60
L3MBTL1 Q9Y468 4/20 0.58
RAB9A P51151 1/20 0.58
SCN8A Q9UQD0 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 2/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL5470027 0.86 MAPT (0.52) MAPTKDM4EMAPK1L3MBTL1RAB9A
SCHEMBL5468286 0.86 MAPT (0.54) MAPTKDM4EMAPK1NPSR1CYP1A2
SCHEMBL24749851 0.84 RAF1 (0.47) MAPTKDM4EMAPK1L3MBTL1RAB9A
SCHEMBL5455095 0.81 MAPT (0.65) MAPTKDM4EMAPK1L3MBTL1RAB9A
SCHEMBL18570517 0.79 L3MBTL1 (0.62) MAPTKDM4EMAPK1L3MBTL1RAB9A
SCHEMBL28179876 0.77 MAPT (0.55) MAPTKDM4EMAPK1NPSR1CYP1A2
SCHEMBL12025132 0.76 L3MBTL1 (0.56) MAPTKDM4EMAPK1L3MBTL1RAB9A
SCHEMBL5024165 0.76 L3MBTL1 (0.71) MAPTKDM4EMAPK1L3MBTL1RAB9A
SCHEMBL31090856 0.75 SLC6A4 (0.59) MAPTKDM4EMAPK1L3MBTL1RAB9A
SCHEMBL13989143 0.74 SMN1; SMN2 (0.65) MAPTKDM4EMAPK1L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 MAPT 4163/4885KDM4E 3789/4885MAPK1 256/4885

“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.