SCHEMBL1454512

SCHEMBL1454512

COc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
MCL1 Q07820 1/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
KCNK3 O14649 1/20 0.58
KCNK9 Q9NPC2 1/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL3645551 0.91
SCHEMBL1456138 0.87 RAB9A (0.60) MAPTMCL1NPC1RAB9AMEN1
SCHEMBL1455951 0.84 MAPT (0.63) MAPTMCL1NPC1RAB9AMEN1
SCHEMBL3646031 0.83
SCHEMBL1454593 0.82 MEN1 (0.72) MAPTMCL1NPC1RAB9AMEN1
SCHEMBL1454748 0.82 MAPT (0.63) MAPTMCL1NPC1RAB9AMEN1
SCHEMBL28554330 0.81 MEN1 (0.69) MAPTMCL1NPC1RAB9AMEN1
SCHEMBL6676689 0.81 MAPT (0.59) MAPTMCL1RAB9AMEN1KMT2A
SCHEMBL1337428 0.81 MEN1 (0.76) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL811365 0.80 MAPT (0.60) MAPTMCL1RAB9AMEN1KMT2A

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 1347/4885MCL1 328/4885NPC1 37/4885

“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.