SCHEMBL1455847

SCHEMBL1455847

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C(=O)Nc3ccc(C(F)(F)F)cn3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 8/20 0.46
ALDH3A1 P30838 1/20 0.45
PTGS1 P23219 1/20 0.44
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 3/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
BRD4 O60885 1/20 0.42

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
SCHEMBL1454973 0.90 ALDH1A1 (0.45) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL1455156 0.90 ALDH1A1 (0.54) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL1455507 0.88 NPC1 (0.48) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL1455846 0.86 PTGS1 (0.52) MEN1KMT2AMAPTPTGS1LMNA
SCHEMBL1454682 0.81 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL1455396 0.81 MEN1 (0.51) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL1455519 0.78 ALDH1A1 (0.69) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL1454754 0.78 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL1456080 0.77 MAPT (0.49) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL1456088 0.77 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1MEN1KMT2A

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 ALDH1A1 2723/4885HPGD 3704/4885NPSR1 3949/4885

“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.