SCHEMBL1455233

SCHEMBL1455233

CS(=O)(=O)Nc1ccc(Sc2ccc(C(=O)Nc3ccc(Br)cc3)cc2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
HPGD P15428 6/20 0.51
ALDH1A1 P00352 6/20 0.51
TP53 P04637 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ADORA3 P0DMS8 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KDM4E B2RXH2 5/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1454546 0.85 TP53 (0.49) MAPTHPGDALDH1A1TP53MEN1
SCHEMBL1454676 0.83 MAPT (0.58) MAPTHPGDALDH1A1TP53MEN1
SCHEMBL1455205 0.81 MAPT (0.46) MAPTHPGDALDH1A1TP53MEN1
SCHEMBL1454120 0.78 TP53 (0.51) MAPTHPGDALDH1A1TP53MEN1
SCHEMBL1455382 0.78 MAPT (0.52) MAPTHPGDALDH1A1TP53MEN1
SCHEMBL1455189 0.78 RAB9A (0.54) MAPTTP53MEN1KMT2AADORA3
SCHEMBL1455558 0.76 MAPT (0.43) MAPTHPGDALDH1A1TP53MEN1
SCHEMBL4975567 0.76 MAPT (0.47) MAPTHPGDALDH1A1TP53MEN1
SCHEMBL11957597 0.75 HDAC2 (0.52) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL2971539 0.74 HDAC1 (0.53) MAPTHPGDALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-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 (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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885HPGD 3704/4885ALDH1A1 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.