SCHEMBL16611528

SCHEMBL16611528

COc1nccc(C(=O)O)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 8/20 0.41
ASPH Q12797 2/20 0.41
KDM8 Q8N371 2/20 0.41
KDM5A P29375 4/20 0.39
KDM5B Q9UGL1 4/20 0.39
DHODH Q02127 1/20 0.39
KDM4C Q9H3R0 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4A O75164 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
KDM6B O15054 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
SCHEMBL16475154 0.80 LMNA (0.47) LMNATDP1POLBKDM4EASPH
SCHEMBL31270462 0.80 LMNA (0.47) LMNATDP1POLBKDM4EASPH
SCHEMBL19330179 0.80 KDM4E (0.59) LMNATDP1POLBKDM4EASPH
SCHEMBL21818791 0.80 LMNA (0.47) LMNATDP1POLBKDM4EASPH
SCHEMBL27667475 0.79 ATR (0.43) LMNATDP1POLBKDM4EALDH1A1
SCHEMBL23177321 0.79 LMNA (0.46) LMNATDP1POLBKDM4EASPH
SCHEMBL2004444 0.79 LMNA (0.46) LMNATDP1POLBKDM4EASPH
SCHEMBL29949269 0.79 LMNA (0.46) LMNATDP1POLBKDM4EASPH
SCHEMBL6711806 0.79 LMNA (0.46) LMNATDP1POLBKDM4EASPH
SCHEMBL1044983 0.75 TDP1 (0.42) LMNATDP1POLBKDM4EASPH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LMNA 1474/4885TDP1 2606/4885POLB 3103/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LMNA 1474/4885TDP1 2606/4885POLB 3103/4885

“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.