SCHEMBL1358324

SCHEMBL1358324

CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCC[C@H]3CO)coc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
ROCK2 O75116 1/20 0.37
TRPV1 Q8NER1 4/20 0.36
PDK2 Q15119 3/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
RORC P51449 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL1358327 1.00 RAB9A (0.37) RAB9AROCK2TRPV1PDK2POLB
SCHEMBL1358325 1.00 RAB9A (0.37) RAB9AROCK2TRPV1PDK2POLB
SCHEMBL1358340 0.85 GAA (0.38) RAB9APDK2POLBMEN1NPC1
SCHEMBL1360760 0.84 HTR2C (0.36) PDK2GAARORCCYP3A4
SCHEMBL1359911 0.83 MAPT (0.34) POLBMEN1KMT2AGAACYP3A4
SCHEMBL1359385 0.83 MAPT (0.36) POLBMEN1KMT2AGAALMNA
SCHEMBL1360377 0.83 CHEK1 (0.34) PDK2GAACYP3A4
SCHEMBL1357846 0.83 HSP90AA1 (0.40) GAACYP3A4
SCHEMBL1359797 0.83 CHEK1 (0.38) RAB9AROCK2NPC1GAARORC
SCHEMBL12138497 0.82 GAA (0.36) MEN1KMT2AGAACYP3A4

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-8067442-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-29 US claimed
US-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-04-01 US claimed

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-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, POLR2A, HCCS RAB9A 1289/4885ROCK2 2439/4885TRPV1 4587/4885

“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.