SCHEMBL1357909

SCHEMBL1357909

CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCC[C@@H](N)C3)coc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.39
GAA P10253 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PADI4 Q9UM07 3/20 0.33
CYP3A4 P08684 1/20 0.32
CHEK1 O14757 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL1359812 1.00 KDM1A (0.39) KDM1AGAATLR9TLR8TLR7
SCHEMBL1357912 1.00 KDM1A (0.39) KDM1AGAATLR9TLR8TLR7
SCHEMBL1358259 0.95 KDM1A (0.37) KDM1ACYP3A4CHEK1
SCHEMBL1359797 0.91 CHEK1 (0.38) GAACYP3A4CHEK1TDP1L3MBTL1
SCHEMBL1359379 0.90 RAB9A (0.39) GAATDP1
SCHEMBL1360205 0.90 KDM1A (0.38) KDM1ACYP3A4
SCHEMBL1359987 0.90 CHEK1 (0.36) KDM1AGAATLR9TLR8TLR7
SCHEMBL1359911 0.89 MAPT (0.34) GAACYP3A4
SCHEMBL1359385 0.89 MAPT (0.36) GAACYP3A4
SCHEMBL1358340 0.89 GAA (0.38) GAACYP3A4

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 KDM1A 1858/4885GAA 2017/4885TLR9 2694/4885

“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.