SCHEMBL2362136

SCHEMBL2362136

COc1cc(CCl)c(Br)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.50
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
HTR2C P28335 2/20 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
SCHEMBL11949285 0.84 HTR2A (0.51) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL1542560 0.83 HTR2A (0.50) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL11949276 0.83 HTR2A (0.58) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL131156 0.81 HTR2A (0.48) HTR2AMTNR1AMTNR1BTAAR1HTR2C
SCHEMBL3308714 0.80 HTR2A (0.47) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL11957632 0.78 MTNR1A (0.47) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL29835972 0.78 MTNR1A (0.47) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL13169383 0.77 LMNA (0.53) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL11957630 0.76 MTNR1A (0.52) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL11833544 0.76 HTR2A (0.47) HTR2ATAAR1HTR2C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
CN-102186823-A Heterocyclic antiviral aryl pyridone derivatives HOFFMANN LA ROCHE 2011-09-14 CN disclosed
EP-2350007-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US disclosed
WO-2010049331-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 WO disclosed
WO-2010049331-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 WO 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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B HTR2A 2942/4885LMNA 3098/4885TP53 1343/4885

“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.