SCHEMBL6663354

SCHEMBL6663354

COC(=O)CC(=O)Nc1ccc(I)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 3/20 0.50
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL16477197 0.84 TSHR (0.69) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL13841452 0.83 POLB (0.74) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL10016247 0.83 MEN1 (0.55) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL2830762 0.83 L3MBTL1 (0.62) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL5206026 0.81 HPGD (0.75) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL5347276 0.81 RAB9A (0.53) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL680052 0.81 ALDH1A1 (0.69) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL16299514 0.81 HPGD (0.69) KMT2AALDH1A1HTTHPGDL3MBTL1
SCHEMBL7094502 0.81 MAPT (0.62) MEN1KMT2AALDH1A1HTTPOLB
SCHEMBL307601 0.81 MAPT (0.59) MEN1KMT2AALDH1A1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2021-03-25 US disclosed
EP-3658586-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2020-06-03 EP disclosed
CN-111108127-A Compounds that specifically bind CD38 for use in the treatment of neurodegenerative and inflammatory diseases ENCEFA公司 2020-05-05 CN disclosed
WO-2019020643-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2019-01-31 WO disclosed
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 US disclosed
WO-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES CD38, TRPC1, TRPC4 MEN1 3736/4885KMT2A 3545/4885ALDH1A1 2501/4885
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 MEN1 3612/4885KMT2A 2806/4885ALDH1A1 1202/4885

“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.