SCHEMBL4579039

SCHEMBL4579039

CC1(C)CC(=O)C2=C(C1)NC(=O)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 7/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 2/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL2676672 0.87 MAOA (0.59) MAOAMEN1KMT2AALDH1A1GAA
SCHEMBL9803410 0.82 MEN1 (0.46) MAOAMEN1KMT2AALDH1A1GAA
SCHEMBL28608498 0.72 HTT (0.51) MAOAMEN1KMT2AALDH1A1GAA
SCHEMBL9803059 0.69 ALDH1A1 (0.49) MAOAMEN1KMT2AALDH1A1GAA
SCHEMBL2324941 0.68
SCHEMBL31182201 0.67 ALDH1A1 (0.39) MAOAMEN1KMT2AALDH1A1GAA
SCHEMBL28606424 0.67 KDM4E (0.56) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL4580150 0.67 MEN1 (0.44) MAOAMEN1KMT2AALDH1A1GAA
SCHEMBL24453416 0.66 GSK3A (0.50)
SCHEMBL7807801 0.65 CRBN (0.40) MEN1KMT2AALDH1A1GAAKDM4E

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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 MAOA 2579/4885MEN1 3488/4885KMT2A 2974/4885

“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.