SCHEMBL1455640

SCHEMBL1455640

CC(C)(C)c1ccc(Sc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 3/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KCNK3 O14649 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.49
KCNK9 Q9NPC2 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL1454927 0.91 MEN1 (0.55) MAPTRAB9ALMNAKCNK3MEN1
SCHEMBL810495 0.90 MAPT (0.50) MAPTRAB9ALMNAKCNK3MEN1
SCHEMBL27873034 0.86 MEN1 (0.45) MAPTRAB9ALMNAKCNK3MEN1
SCHEMBL1455811 0.84 PTGS1 (0.57) MAPTRAB9ALMNAKCNK3MEN1
SCHEMBL1454929 0.80 LMNA (0.53) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL374408 0.80 RAB9A (0.65) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL11957602 0.79 MAPT (0.58) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL811365 0.78 MAPT (0.60) MAPTRAB9ALMNAMAPK1KCNK3
SCHEMBL29227478 0.78 MEN1 (0.62) MAPTRAB9ALMNAKCNK3MEN1
SCHEMBL2494880 0.78 MEN1 (0.62) MAPTRAB9ALMNANPC1MAPK1

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 MAPT 1347/4885RAB9A 571/4885LMNA 3252/4885

“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.