SCHEMBL1455933

SCHEMBL1455933

Cc1cccc(C(=O)Nc2ccc(Sc3ccc(O)cc3)c(N)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
TP53 P04637 2/20 0.64
KCNK3 O14649 10/20 0.54
KCNK9 Q9NPC2 8/20 0.54
KCNH2 Q12809 1/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
RXFP1 Q9HBX9 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
NT5E P21589 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL1454936 0.90 MEN1 (0.52) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL1454847 0.87 DEGS1 (0.49) NPC1RAB9ATP53KCNK3KCNK9
SCHEMBL1454271 0.86 KCNK3 (0.51) NPC1RAB9ATP53KCNK3KCNK9
SCHEMBL1455535 0.86 NPC1 (0.47) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL1454800 0.86 MAPK14 (0.58) NPC1RAB9ATP53KCNK3MAPT
SCHEMBL1455137 0.86 AR (0.61) NPC1RAB9ATP53KCNK3KCNK9
SCHEMBL1455344 0.85 NQO2 (0.50) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL811386 0.84 PTGS1 (0.59) RAB9AKCNK3KCNK9KMT2AMEN1
SCHEMBL1454472 0.81 CACNA1B (0.48) KMT2AMEN1L3MBTL1POLBMAPT
SCHEMBL1454225 0.81 PTPN1 (0.46) NPC1RAB9AMAPTLMNAGAA

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 NPC1 37/4885RAB9A 571/4885TP53 465/4885

“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.