SCHEMBL1455137

SCHEMBL1455137

COc1cccc(C(=O)Nc2ccc(Sc3ccc(O)cc3)c(N)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.61
PGR P06401 1/20 0.57
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
TP53 P04637 4/20 0.56
TSHR P16473 2/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 2/20 0.54
KCNK3 O14649 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
KDM4E B2RXH2 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL1456119 0.91 RAB9A (0.57) ARPGRRAB9ASMN1; SMN2TP53
SCHEMBL1454704 0.88 NPC1 (0.53) ARRAB9ASMN1; SMN2TP53NPSR1
SCHEMBL1454225 0.87 PTPN1 (0.46) ARRAB9ANPC1
SCHEMBL1454936 0.87 MEN1 (0.52) ARRAB9ATP53NPC1MEN1
SCHEMBL1455933 0.86 NPC1 (0.64) RAB9ATP53NPC1MEN1KMT2A
SCHEMBL1454847 0.84 DEGS1 (0.49) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL1454271 0.84 KCNK3 (0.51) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL1455535 0.84 NPC1 (0.47) RAB9ASMN1; SMN2TP53TSHRNPC1
SCHEMBL1454800 0.83 MAPK14 (0.58) RAB9ASMN1; SMN2TP53NPC1ALDH1A1
SCHEMBL1455344 0.83 NQO2 (0.50) RAB9ATP53NPSR1NPC1MEN1

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
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
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 AR 3318/4885PGR 2427/4885RAB9A 571/4885

“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.