SCHEMBL810973

SCHEMBL810973

Nc1cc(Br)ccc1Sc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
ALOX15 P16050 2/20 0.41
SLC6A4 P31645 5/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
DHFR P00374 2/20 0.38
PDE7A Q13946 1/20 0.37
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
GLB1 P16278 1/20 0.34
CTRB1 P17538 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
SCHEMBL1454650 0.85 NR1H2 (0.52) NR1H2ALOX15SLC6A4SLC6A2SLC6A3
SCHEMBL4386613 0.81 PDE7A (0.52) NR1H2ALOX15SLC6A4SLC6A2SLC6A3
SCHEMBL810478 0.81 ALDH1A1 (0.45) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL810140 0.79 MAOB (0.46) SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL2955723 0.79 APP (0.42) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL809598 0.79 ALDH1A1 (0.54) NR1H2ALOX15SLC6A4SLC6A2SLC6A3
SCHEMBL10540076 0.78 NR1H2 (0.48) NR1H2ALOX15DHFRBCL2MCL1
SCHEMBL811300 0.78 AGER (0.58) ALOX15SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL1454120 0.77 TP53 (0.51) ALOX15KDM4EALDH1A1MAPTHPGD
SCHEMBL1454546 0.77 TP53 (0.49) ALOX15KDM4EALDH1A1MAPTHPGD

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 NR1H2 221/4885ALOX15 1858/4885SLC6A4 4037/4885

“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.