SCHEMBL10146092

SCHEMBL10146092

CC(C)(C)c1cc(-c2nnc(C(C)(C)C)[nH]2)on1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13618722 0.89 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL12747061 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL10147818 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL10147511 0.78 MAPK14 (0.36) MEN1HPGDKMT2A
SCHEMBL351776 0.77 CNR2 (0.39) MEN1KMT2A
SCHEMBL350956 0.77 PTGS2 (0.34) ALDH1A1HPGDHSD17B10
SCHEMBL10147554 0.75 LMNA (0.32)
SCHEMBL10147534 0.75 CNR2 (0.34)
SCHEMBL13618729 0.74
SCHEMBL350081 0.73 CNR2 (0.42)

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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 ALDH1A1 2844/4885KDM4E 2157/4885MEN1 4875/4885

“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.