SCHEMBL1359236

SCHEMBL1359236

CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)Nc3nccs3)coc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 4/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNMA1 Q12791 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.38
GCK P35557 1/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL1359878 0.83 ABL1 (0.41) RAB9AMEN1KMT2A
SCHEMBL1359292 0.82 CYP3A4 (0.38) MAPT
SCHEMBL1360340 0.80 NAPRT (0.40) MAPTKDM4EGAA
SCHEMBL1358064 0.80 CYP3A4 (0.38) CYP1A2SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL1360212 0.80 NPC1 (0.37) RAB9AHPGDMAPTNPC1MEN1
SCHEMBL1358769 0.80 MAOB (0.45) RAB9ALMNAMAPTALDH1A1NPC1
SCHEMBL1358066 0.78 MAOB (0.42) ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL1359874 0.78 POLB (0.38) RAB9AHPGDLMNANPC1TP53
SCHEMBL1359735 0.77 CYP3A4 (0.46) HPGDALDH1A1TP53SMN1; SMN2
SCHEMBL1358139 0.77 KMT2A (0.37) RAB9AHPGDLMNAMAPTALDH1A1

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 4 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
EP-2334662-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. Hoffmann-La Roche AG (CH) 2011-06-22 EP claimed
US-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-04-01 US claimed
WO-2010034671-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO 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 1289/4885HPGD 2258/4885LMNA 2364/4885

“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.