SCHEMBL12366139

SCHEMBL12366139

COC(=O)c1ccc2c(c1)C(c1cc(F)ccc1F)=CC(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
MAPT P10636 6/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MAPK14 Q16539 1/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 2/20 0.37
MCL1 Q07820 2/20 0.37
TNF P01375 1/20 0.37
NR2F2 P24468 1/20 0.37
KLF5 Q13887 1/20 0.37
NOD1 Q9Y239 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL12365859 0.91 MAPK14 (0.41) PARP1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12366033 0.90 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12366248 0.90 MAPK14 (0.40) PARP1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12390212 0.89 MAPT (0.40) PARP1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12366243 0.89 CA1 (0.40) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL12366178 0.88 ALPL (0.37) PARP1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12366263 0.87 PARP1 (0.40) PARP1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12365856 0.87 NPC1 (0.45) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12366145 0.87 TDP1 (0.40) RAB9ALMNAALDH1A1MAPK14HTT
SCHEMBL12390216 0.86 PARP1 (0.39) PARP1MAPTRAB9ANPC1SMN1; SMN2

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E PARP1 2039/4885MAPT 463/4885RAB9A 430/4885

“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.