SCHEMBL1455786

SCHEMBL1455786

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(NC(=O)c3cccs3)cc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 3/20 0.52
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
AXL P30530 1/20 0.49
MAPT P10636 6/20 0.49
GFER P55789 1/20 0.49
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GLP1R P43220 1/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
TRPA1 O75762 1/20 0.45

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
SCHEMBL1456106 0.85 KMT2A (0.43) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL1455452 0.85 MAPT (0.59) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL6819346 0.84 RAB9A (0.69) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL1455377 0.83 KMT2A (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1455609 0.81 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL11306242 0.80 KMT2A (0.78) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL1456101 0.80 PNLIP (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1454384 0.80 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2AXLMAPT
SCHEMBL1456027 0.80 KCNK3 (0.48) RAB9ANPC1TP53KMT2AMEN1
SCHEMBL1455101 0.80 PNLIP (0.46) KMT2AMEN1

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 RAB9A 571/4885NPC1 37/4885SMN1; 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.