SCHEMBL1542659

SCHEMBL1542659

Fc1cnc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
PDE5A O76074 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
SCHEMBL31730574 1.00 MAOB (0.42) MAOBL3MBTL1SLC6A4THRATHRB
SCHEMBL17594985 0.83 MAOB (0.49) MAOBL3MBTL1SLC6A4THRATHRB
SCHEMBL23163764 0.82 KMT2A (0.44) MAOBL3MBTL1THRBALDH1A1LMNA
SCHEMBL15257360 0.81 L3MBTL1 (0.47) MAOBL3MBTL1SLC6A4THRATHRB
SCHEMBL29837500 0.81 SLC6A4 (0.56) MAOBL3MBTL1SLC6A4THRATHRB
SCHEMBL1565133 0.81 SLC6A4 (0.56) MAOBL3MBTL1SLC6A4THRATHRB
SCHEMBL23195489 0.81 MAOB (0.46) MAOBL3MBTL1SLC6A4THRATHRB
SCHEMBL14973934 0.81 GABRA5 (0.48) MAOBL3MBTL1SLC6A4THRATHRB
SCHEMBL25327212 0.80 MAOB (0.43) MAOBL3MBTL1SLC6A4THRATHRB
SCHEMBL7916623 0.80 MRGPRX4 (0.51) MAOBL3MBTL1SLC6A4THRATHRB

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 5 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
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO 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 (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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B MAOB 268/4885L3MBTL1 2345/4885SLC6A4 4174/4885

“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.