SCHEMBL10291337

SCHEMBL10291337

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-n4c(C)nc5ccccc54)c3C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 5/20 0.38
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PPARD Q03181 2/20 0.34
PPARG P37231 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL1708095 0.92 SMN1; SMN2 (0.39) SMN1; SMN2FFAR1TP53NPC1RAB9A
SCHEMBL1708164 0.92 FFAR1 (0.37) TSHRMAPK1SMN1; SMN2FFAR1NPC1
SCHEMBL1708636 0.92 TSHR (0.38) TSHRMAPK1SMN1; SMN2FFAR1TP53
SCHEMBL1708157 0.92 FFAR1 (0.38) TSHRMAPK1SMN1; SMN2FFAR1TP53
SCHEMBL1708109 0.92 FFAR1 (0.37) TSHRMAPK1SMN1; SMN2FFAR1TP53
SCHEMBL10010847 0.92 FFAR1 (0.43) TSHRMAPK1FFAR1PPARDPPARG
SCHEMBL1708153 0.91 SMN1; SMN2 (0.40) TSHRSMN1; SMN2FFAR1TP53NPC1
SCHEMBL1708146 0.91 FFAR1 (0.36) TSHRMAPK1SMN1; SMN2FFAR1LMNA
SCHEMBL1708140 0.91 FFAR1 (0.38) SMN1; SMN2FFAR1NPC1RAB9APOLB
SCHEMBL1708082 0.91 FFAR1 (0.36) SMN1; SMN2FFAR1TP53NPC1RAB9A

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 TSHR 637/4885MAPK1 326/4885SMN1; SMN2 4287/4885

“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.