SCHEMBL12366258

SCHEMBL12366258

COC(=O)c1ccc2c(c1)C(c1c(C)cc(F)cc1F)=CC(C)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MCL1 Q07820 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TNF P01375 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
NOTUM Q6P988 1/20 0.36
IL2 P60568 2/20 0.35
MAPK14 Q16539 3/20 0.35
BRD4 O60885 1/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL12366024 0.93 MAPT (0.38) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL12366047 0.93 MAPT (0.38) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL12365575 0.93 MAPT (0.38) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL12389753 0.88 MAPT (0.36) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL12366307 0.88 TDP1 (0.38) RAB9ALMNAALDH1A1GAAHTT
SCHEMBL12366211 0.87 IL2 (0.41) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL12366263 0.84 PARP1 (0.40) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL12366187 0.84 CA1 (0.38) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL12366124 0.84 RAB9A (0.40) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL12365859 0.83 MAPK14 (0.41) SMN1; SMN2RAB9ANPC1MAPTMEN1

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-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 SMN1; SMN2 3728/4885RAB9A 430/4885NPC1 1519/4885

“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.