SCHEMBL1455951

SCHEMBL1455951

Cc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
MCL1 Q07820 1/20 0.63
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
RAB9A P51151 3/20 0.60
MAPK1 P28482 1/20 0.60
KCNK3 O14649 6/20 0.59
KCNK9 Q9NPC2 5/20 0.59
KCNH2 Q12809 1/20 0.59
LMNA P02545 4/20 0.59
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
RECQL P46063 1/20 0.57
ALOX5 P09917 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NPC1 O15118 2/20 0.56
POLB P06746 2/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL1454593 0.85 MEN1 (0.72) MAPTMCL1MEN1KMT2ARAB9A
SCHEMBL1454748 0.85 MAPT (0.63) MAPTMCL1MEN1KMT2ARAB9A
SCHEMBL1454512 0.84 MAPT (0.59) MAPTMCL1MEN1KMT2ARAB9A
SCHEMBL6676689 0.84 MAPT (0.59) MAPTMCL1MEN1KMT2ARAB9A
SCHEMBL1454722 0.83 KMT2A (0.65) MAPTMCL1MEN1KMT2ARAB9A
SCHEMBL811365 0.83 MAPT (0.60) MAPTMCL1MEN1KMT2ARAB9A
SCHEMBL6813549 0.83 MEN1 (0.70) MAPTMCL1MEN1KMT2ARAB9A
SCHEMBL1455710 0.82 MAPT (0.62) MAPTMCL1MEN1KMT2ARAB9A
SCHEMBL20083953 0.81 KCNK3 (0.69) MAPTMEN1KMT2ARAB9AKCNK3
SCHEMBL12639153 0.80 MEN1 (0.71) MAPTMEN1KMT2ARAB9AMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013096744-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-06-27 WO disclosed
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
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN 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 328/4885MEN1 4571/4885

“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.