SCHEMBL810907

SCHEMBL810907

O=[N+]([O-])c1cc(OCc2ccccc2Br)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.46
MAOB P27338 2/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE7A Q13946 1/20 0.42
AR P10275 1/20 0.41
VCAM1 P19320 5/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
RAF1 P04049 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL4976607 0.87 GPR84 (0.41) NPC1RAB9AKMT2APDE7AVCAM1
SCHEMBL810526 0.84 ALDH1A1 (0.54) MAOBNPC1RAB9AKMT2AALDH1A1
SCHEMBL810591 0.82 NPC1 (0.51) PARP10MAOBFFAR1NPC1RAB9A
SCHEMBL810482 0.81 VCAM1 (0.48) MAOBFFAR1NPC1RAB9AKMT2A
SCHEMBL810842 0.81 MEN1 (0.53) MAOBNPC1RAB9AKMT2AAR
SCHEMBL29463873 0.81 MEN1 (0.53) MAOBNPC1RAB9AKMT2AAR
SCHEMBL810233 0.78 SIRT2 (0.50) MAOBKMT2AMAPT
SCHEMBL810443 0.78 MAOB (0.56) PARP10MAOBFFAR1FFAR4
SCHEMBL27743930 0.77 INPPL1 (0.42) MAOBVCAM1ALDH1A1LMNARAF1
SCHEMBL9524443 0.77 VCAM1 (0.48) PDE7AVCAM1ALDH1A1

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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PARP10 2995/4885MAOB 3352/4885FFAR1 4621/4885

“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.