SCHEMBL1455535

SCHEMBL1455535

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
ABL1 P00519 1/20 0.46
TSHR P16473 1/20 0.46
RIN1 Q13671 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 3/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 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
SCHEMBL1455746 0.91 MAPK1 (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1454936 0.90 MEN1 (0.52) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL1454120 0.87 TP53 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1454847 0.87 DEGS1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1454271 0.86 KCNK3 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1455933 0.86 NPC1 (0.64) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL1455344 0.85 NQO2 (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL1454546 0.85 TP53 (0.49) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL1455137 0.84 AR (0.61) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL811386 0.84 PTGS1 (0.59) RAB9AKMT2AMEN1MAPTPOLB

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 571/4885SMN1; SMN2 3135/4885

“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.