SCHEMBL2900503

SCHEMBL2900503

COc1cc[c]cc1NC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CETP P11597 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
PARP2 Q9UGN5 1/20 0.39
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL1355596 0.83 ALDH1A1 (0.45) KDM4ELMNAL3MBTL1ALDH1A1MEN1
SCHEMBL2900637 0.81 L3MBTL1 (0.47) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL2902879 0.79 HTT (0.46) KDM4ECETPALDH1A1KMT2ATSHR
SCHEMBL2899236 0.79 HTT (0.55) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28089256 0.79 POLB (0.35) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL2897809 0.79 MEN1 (0.48) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL28316733 0.79 PDK1 (0.46) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL2902630 0.78 KMT2A (0.58) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL2894992 0.77 SMN1; SMN2 (0.48) KDM4EL3MBTL1ALDH1A1KMT2ACYP1A2
SCHEMBL1355211 0.77 KMT2A (0.52) KDM4ELMNAL3MBTL1ALDH1A1MEN1

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 KDM4E 762/4885LMNA 2262/4885ALOX12 2606/4885

“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.