SCHEMBL10291386

SCHEMBL10291386

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-c4c(C(F)(F)F)nc5ccccn45)c3C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
FFAR1 O14842 13/20 0.35
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
PPARD Q03181 3/20 0.32
PPARG P37231 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARA Q07869 1/20 0.31

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
SCHEMBL10009390 0.93 FFAR1 (0.40) FFAR1PPARDPPARGPPARA
SCHEMBL1708612 0.91 SMN1; SMN2 (0.38) LMNAFFAR1PDCD1CD274SMN1; SMN2
SCHEMBL1708299 0.83 FFAR1 (0.42) LMNAFFAR1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1708614 0.79 LMNA (0.39) LMNAFFAR1SMN1; SMN2ALDH1A1TP53
SCHEMBL1708301 0.77 SMN1; SMN2 (0.41) LMNAPDCD1CD274SMN1; SMN2NPC1
SCHEMBL1708164 0.76 FFAR1 (0.37) LMNAFFAR1PDCD1CD274SMN1; SMN2
SCHEMBL10291778 0.76 FFAR1 (0.39) FFAR1PDCD1CD274PPARD
SCHEMBL10291337 0.76 TSHR (0.39) LMNAFFAR1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1708103 0.75 FFAR1 (0.39) FFAR1PDCD1CD274PPARDPPARG
SCHEMBL10291219 0.75 FFAR1 (0.40) FFAR1PDCD1CD274PPARDPPARG

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R LMNA 4537/4885FFAR1 20/4885PDCD1 4578/4885

“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.