SCHEMBL810329

SCHEMBL810329

COc1ccc(Sc2ccc(C)cc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.55
HPGD P15428 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 2/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 2/20 0.55
HTR1A P08908 2/20 0.53
HTR3A P46098 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
GAA P10253 1/20 0.53
TP53 P04637 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
SLC6A2 P23975 5/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A3 Q01959 5/20 0.45

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
SCHEMBL14486804 0.86 PTGIR (0.49) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL810664 0.86 ALDH1A1 (0.59) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL2960428 0.83 MAPT (0.48) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL810552 0.83 SLC6A4 (0.49) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL2960131 0.81 ALDH1A1 (0.56) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL3547996 0.80 HTR1A (0.53) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL810286 0.79 ALDH1A1 (0.56) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL5316082 0.79 HTR1A (0.52) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL809598 0.79 ALDH1A1 (0.54) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL810752 0.79 SLC6A4 (0.58) ALDH1A1MAPTHPGDL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
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
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (3 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 ALDH1A1 2723/4885MAPT 1347/4885HPGD 3704/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885MAPT 1347/4885HPGD 3704/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885MAPT 1347/4885HPGD 3704/4885

“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.