SCHEMBL12580645

SCHEMBL12580645

CC(C)(C)c1cc(C=O)nc(N2CCC(N3CCCC3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 11/20 0.38
▸ L3MBTL3 Q96JM7 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MBTD1 Q05BQ5 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL1420176 0.79 RBP4 (0.42) CCR4L3MBTL3L3MBTL1KDM4ENPY2R
SCHEMBL12552663 0.74 MAPK1 (0.43) L3MBTL3L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL12580747 0.70 HPGD (0.51) CCR4L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL1420086 0.69 NPY2R (0.47) ALDH1A1NPY2RHRH3HPGD
SCHEMBL4257753 0.68 L3MBTL1 (0.50) CCR4L3MBTL3L3MBTL1MBTD1ALDH1A1
SCHEMBL1420168 0.68 KHK (0.40) L3MBTL3L3MBTL1MBTD1KDM4EALDH1A1
SCHEMBL10203175 0.67 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL12552673 0.67 RBP4 (0.48) KDM4EALDH1A1HPGD
SCHEMBL1420172 0.65 KDM4E (0.49) L3MBTL3L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL12548172 0.65 GBA1 (0.46) L3MBTL1KDM4EALDH1A1HPGD

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-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 — — 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-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA G6PD, DHFR, SGMS1 CCR4 1601/4885L3MBTL3 3831/4885L3MBTL1 3493/4885

“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.

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