SCHEMBL13100367

SCHEMBL13100367

CC(C)n1cc(CN(C)Cc2nc(Cc3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3F)n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
RORC P51449 2/20 0.32
PTGS2 P35354 2/20 0.32
PDPK1 O15530 1/20 0.31
MAPK1 P28482 1/20 0.31
MOGAT2 Q3SYC2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL13100280 0.90 GAA (0.39) KDM4EKMT2AL3MBTL1CA1CA2
SCHEMBL13100249 0.88 CA1 (0.39) KDM4ECA1CA2CA5ACA7
SCHEMBL13100395 0.83 CA1 (0.37) CA1CA2CA5ACA7CA5B
SCHEMBL3108992 0.83 CA1 (0.37) CA1CA2CA5ACA7CA5B
SCHEMBL13100269 0.83 MAPT (0.39) KMT2ACA1CA2CA5ACA7
SCHEMBL13099746 0.82 HTR6 (0.34) PTGS2MAPT
SCHEMBL13100286 0.82 PTGS2 (0.39) CA1CA2CA5ACA7CA5B
SCHEMBL13100258 0.81 PTGS2 (0.36) CA1CA2CA5ACA7CA5B
SCHEMBL13099894 0.81 CA1 (0.36) CA1CA2CA5ACA7CA5B
SCHEMBL3118388 0.81 CA1 (0.36) CA1CA2CA5ACA7CA5B

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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 KDM4E 2901/4885KMT2A 3080/4885L3MBTL1 4868/4885

“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.