SCHEMBL22667286

SCHEMBL22667286

CCN1C(=O)C(=O)c2cc(Br)ccc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.68
ACHE P22303 3/20 0.67
CES1 P23141 1/20 0.66
PARK7 Q99497 1/20 0.66
ALDH1A1 P00352 10/20 0.63
ALDH3A1 P30838 7/20 0.63
ALDH2 P05091 4/20 0.63
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL30403461 1.00 CUL4A (0.68) CUL4AACHECES1PARK7ALDH1A1
SCHEMBL22655289 0.91 CUL4A (0.58) CUL4AACHECES1PARK7ALDH1A1
SCHEMBL21001752 0.87 ALDH1A1 (0.65) CUL4AACHECES1PARK7ALDH1A1
SCHEMBL28026697 0.86 PARK7 (0.53) CUL4AACHECES1PARK7ALDH1A1
SCHEMBL22667215 0.83 CES1 (0.62) CUL4AACHECES1PARK7ALDH1A1
SCHEMBL30404066 0.83 CES1 (0.62) CUL4AACHECES1PARK7ALDH1A1
SCHEMBL31419934 0.83 PARK7 (0.66) CUL4AACHECES1PARK7ALDH1A1
SCHEMBL4624674 0.83 CUL4A (0.68) CUL4AACHECES1PARK7ALDH1A1
SCHEMBL4292310 0.82 CUL4A (0.62) CUL4AACHECES1PARK7ALDH1A1
SCHEMBL22667216 0.82 CUL4A (0.62) CUL4AACHECES1PARK7ALDH1A1

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
WO-2022188045-A1 METHOD FOR CATALYTIC PREPARATION OF PYRANO[2,3-B]INDOLE-2-ONE COMPOUND 苏州大学 2022-09-15 WO disclosed
CN-112961166-B Catalytic preparation of pyrano [2,3-b]Process for preparing indol-2-one compounds 苏州大学 2022-02-25 CN disclosed
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2021-11-02 US disclosed
US-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2020-11-19 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 (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-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors ALK, ACVR2B, ACVR1B CUL4A 2848/4885ACHE 2992/4885CES1 2359/4885
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors ALK, ACVR2B, ACVR1B CUL4A 2848/4885ACHE 2992/4885CES1 2359/4885

“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.