SCHEMBL12552663

SCHEMBL12552663

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MCHR1 Q99705 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OGFRL1 Q5TC84 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 2/20 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
SCHEMBL1420176 0.84 RBP4 (0.42) MCHR1L3MBTL1HPGDKCNH2KDM4E
SCHEMBL12580645 0.74 CCR4 (0.38) ALDH1A1L3MBTL1HPGDKDM4EL3MBTL3
SCHEMBL1420086 0.73 NPY2R (0.47) KMT2AMEN1MCHR1ALDH1A1HPGD
SCHEMBL5211805 0.73 L3MBTL1 (0.53) MAPK1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL12552673 0.73 RBP4 (0.48) MAPK1KMT2AMEN1MCHR1ALDH1A1
SCHEMBL1420168 0.71 KHK (0.40) MAPK1KMT2AMEN1MCHR1ALDH1A1
SCHEMBL5519910 0.71 RBP4 (0.43) MAPK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL12552670 0.71 RBP4 (0.55) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5524235 0.70 ALDH1A1 (0.45) MAPK1ALDH1A1MAPTHPGDLMNA
SCHEMBL12552665 0.70 L3MBTL1 (0.49) MAPK1KMT2AMEN1ALDH1A1L3MBTL1

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 MAPK1 3893/4885KMT2A 3409/4885MEN1 837/4885

“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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