SCHEMBL12635201

SCHEMBL12635201

COC(=O)c1cccc(COc2ccc(-c3ccccc3)cc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
SLC6A3 Q01959 1/20 0.47
PTGER4 P35408 6/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK10 P53779 1/20 0.46
MMP3 P08254 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
PPARG P37231 1/20 0.43
HIF1A Q16665 1/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL1760329 0.90 PTGER4 (0.51) PDCD1CD274PTGER4ALDH1A1TSHR
SCHEMBL1760427 0.83 GYS1 (0.50) PDCD1CD274SLC6A3
SCHEMBL1760330 0.82 SLC6A3 (0.48) PDCD1CD274SLC6A3PTGER4ALDH1A1
SCHEMBL1760214 0.81 GYS1 (0.52) PDCD1CD274SLC6A3
SCHEMBL1760222 0.80 GYS1 (0.48) PDCD1CD274
SCHEMBL1760107 0.80 GYS1 (0.55)
SCHEMBL3134818 0.80 SLC6A3 (0.52) SLC6A3ALDH1A1TSHRHSD17B10MAPK10
SCHEMBL31123658 0.79 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10MAPK10KMT2A
SCHEMBL21121055 0.79 ALDH1A1 (0.47) SLC6A3ALDH1A1TSHRHSD17B10MAPK10
SCHEMBL8846853 0.77 HDAC3 (0.51) PTGER4ALDH1A1POLBKMT2ACTDSP1

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-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 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-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL PDCD1 4519/4885CD274 4751/4885SLC6A3 3702/4885

“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.