SCHEMBL20888486

SCHEMBL20888486

CN(CCO)C(=O)c1cccc(NI)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PDK2 Q15119 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ GYS1 P13807 1/20 0.41
▸ CTDSP1 Q9GZU7 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ ATR Q13535 1/20 0.38

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
SCHEMBL12852614 0.87 ACACB (0.46) ACACBHDAC6MEN1KMT2APDK2
SCHEMBL13151159 0.85 ACACB (0.46) ACACBHDAC6MEN1KMT2APDK2
SCHEMBL20888484 0.83 HPGD (0.50) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL20888459 0.81 HTT (0.44) MEN1KMT2ATDP1HTTNPC1
SCHEMBL19903834 0.78 HPGD (0.58) ACACBHDAC6MEN1KMT2APDK2
SCHEMBL23471148 0.78 CYP4F2 (0.55) ACACBMEN1KMT2APDK2ALDH1A1
SCHEMBL20888517 0.77 HTT (0.44) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1196682 0.77 MEN1 (0.47) ACACBHDAC6MEN1KMT2APDK2
SCHEMBL21413678 0.77 CDK4 (0.56) ACACBHDAC6MEN1KMT2APDK2
SCHEMBL3646900 0.77 MEN1 (0.51) ACACBMEN1KMT2APDK2SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2024-01-25 — — US disclosed
US-11590118-B2 Methods and compositions for treating retina-associated disease using CCR3-inhibitors ALKAHEST INC. (US) 2023-02-28 — — US disclosed
US-11382907-B2 Methods and compositions for treating aging-associated impairments using CCR3-inhibitors ALKAHEST, INC. (US) 2022-07-12 — — US disclosed
US-20210106577-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2021-04-15 — — US disclosed
US-20190105314-A1 Methods and Compositions for Treating Aging-Associated Impairments Using CCR3-Inhibitors ALKAHEST, INC. 2019-04-11 — — 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 (5 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-20190105314-A1 Methods and Compositions for Treating Aging-Associated Impairments Using CCR3-Inhibitors CCR3, CCR1, CCR4 ACACB 2554/4885HDAC6 317/4885MEN1 2820/4885
US-20210106577-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 ACACB 2626/4885HDAC6 1347/4885MEN1 4450/4885
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 ACACB 2626/4885HDAC6 1347/4885MEN1 4450/4885
US-11590118-B2 Methods and compositions for treating retina-associated disease using CCR3-inhibitors CCR3, CCR1, CCR4 ACACB 2626/4885HDAC6 1347/4885MEN1 4450/4885
US-11382907-B2 Methods and compositions for treating aging-associated impairments using CCR3-inhibitors CCR3, CCR1, CCR4 ACACB 2554/4885HDAC6 317/4885MEN1 2820/4885

“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.

Send feedback