SCHEMBL811089

SCHEMBL811089

Nc1cc(OCc2ccc(Cl)s2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE7A Q13946 1/20 0.32
TP53 P04637 1/20 0.31
MCHR1 Q99705 1/20 0.31
PIM1 P11309 1/20 0.30
AKT2 P31751 1/20 0.30
NR1H2 P55055 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL810557 0.85 CYP1A2 (0.49) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL2969952 0.79 KDM4E (0.47) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL2968655 0.76 MAOB (0.51)
SCHEMBL811334 0.76 CYP1A2 (0.55) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL810856 0.75 MAOB (0.44) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL810264 0.74 SLC6A2 (0.43) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL811055 0.74 MRGPRX4 (0.39) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL810574 0.74 MAOB (0.49) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL810140 0.74 MAOB (0.46) LMNASLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL810135 0.74 MAPT (0.48) MAPTKDM4EALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885KDM4E 1822/4885ALDH1A1 2723/4885

“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.