SCHEMBL1454271

SCHEMBL1454271

Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.51
KCNK9 Q9NPC2 2/20 0.51
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
KCNE1 P15382 2/20 0.47
KCNQ1 P51787 2/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNQ5 Q9NR82 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) NPC1RAB9AMAPTTP53HPGD
SCHEMBL1455121 0.87 MAPT (0.57) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL1454847 0.87 DEGS1 (0.49) KCNK3KCNK9JAK2JAK1NPC1
SCHEMBL1455535 0.86 NPC1 (0.47) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL1455933 0.86 NPC1 (0.64) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL1455344 0.85 NQO2 (0.50) NPC1RAB9AMAPTTP53HPGD
SCHEMBL1455186 0.85 MEN1 (0.57) NPC1RAB9AMAPTHPGDKCNQ3
SCHEMBL811386 0.84 PTGS1 (0.59) KCNK3KCNK9RXFP1RAB9AMAPT
SCHEMBL1455137 0.84 AR (0.61) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL1454800 0.84 MAPK14 (0.58) KCNK3NPC1RAB9AMAPTTP53

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 4 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
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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 KCNK3 4617/4885KCNK9 4468/4885JAK2 226/4885

“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.