SCHEMBL2900637

SCHEMBL2900637

Cc1cc[c]cc1NC(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
CETP P11597 1/20 0.45
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL1447993 0.88 L3MBTL1 (0.46) L3MBTL1CETPPDK1PDK2PDK3
SCHEMBL5366507 0.84 PDK1 (0.44) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL28316733 0.83 PDK1 (0.46) L3MBTL1CETPPDK1PDK2PDK3
SCHEMBL2897809 0.83 MEN1 (0.48) L3MBTL1CETPPDK1PDK2PDK3
SCHEMBL2900503 0.81 KDM4E (0.48) L3MBTL1CETPPDK1PDK2PDK3
SCHEMBL220305 0.79 ALDH1A1 (0.57) L3MBTL1HTTALDH1A1MAPTMEN1
SCHEMBL10962786 0.76 HPGD (0.50) HTTALDH1A1MAPTMEN1HPGD
SCHEMBL397003 0.76 PDK1 (0.67) L3MBTL1CETPPDK1PDK2PDK3
SCHEMBL2900696 0.75 ALDH1A1 (0.47) L3MBTL1KDM4EHTTALDH1A1MAPT
SCHEMBL2900761 0.75 MDM4 (0.47) L3MBTL1CETPKDM4EHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR L3MBTL1 1263/4885CETP 2947/4885PDK1 953/4885

“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.