SCHEMBL859892

SCHEMBL859892

CC(C)(C)c1cc(Br)cc(-c2cccnc2OCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.39
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
MAOB P27338 1/20 0.36
LTA4H P09960 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP3A4 P08684 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CCR5 P51681 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DAPK1 P53355 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL1542640 0.82 LOXL2 (0.40) L3MBTL1
SCHEMBL13064943 0.82 FFAR4 (0.36) RORCCYP3A4L3MBTL1HTTLMNA
SCHEMBL29013129 0.80 GABRG2 (0.52) RORCGABRG2GABRB3GABRA5GABRA3
SCHEMBL28917593 0.78 HTT (0.47) RORCMAOBLTA4HMAPK14SQOR
SCHEMBL3423411 0.77 L3MBTL1 (0.38) RORCLTA4HMAPK14CYP3A4L3MBTL1
SCHEMBL12678833 0.77 SQOR (0.44) RORCMAOBSQORL3MBTL1CNR1
SCHEMBL10090585 0.75 L3MBTL1 (0.36) RORCLTA4HMAPK14CYP3A4L3MBTL1
SCHEMBL1542308 0.75 FFAR4 (0.40) RORCLTA4H
SCHEMBL12678953 0.74 NR1H4 (0.38) RORCL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL6365799 0.74 LMNA (0.39) RORCL3MBTL1CNR1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2432554-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-03-28 EP disclosed
WO-2010133528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-25 WO disclosed
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 US disclosed
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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 (2 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-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B RORC 752/4885GABRG2 4461/4885GABRB3 3659/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B RORC 791/4885GABRG2 4547/4885GABRB3 3757/4885

“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.