SCHEMBL1455443

SCHEMBL1455443

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cn3)cc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
TP53 P04637 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 7/20 0.51
MEN1 O00255 4/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
MAPT P10636 1/20 0.50
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL1454630 0.89 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL1455967 0.89 MEN1 (0.47) RAB9ANPC1SMN1; SMN2TP53CYP3A4
SCHEMBL1455846 0.88 PTGS1 (0.52) KMT2AMEN1MAPTLMNAHDAC1
SCHEMBL1455507 0.86 NPC1 (0.48) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL1454267 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL1453961 0.81 NAMPT (0.46) TP53KMT2AMEN1MAPTHDAC1
SCHEMBL1454996 0.80 RAB9A (0.45) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1455101 0.80 PNLIP (0.46) KMT2AMEN1HDAC1BRAFNAMPT
SCHEMBL1455539 0.79 NAMPT (0.42) SMN1; SMN2KMT2AMEN1HDAC1NAMPT
SCHEMBL1455029 0.79 NAMPT (0.42) HDAC1NAMPTMAPKAPK2

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 3 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
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 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.