SCHEMBL810027

SCHEMBL810027

O=[N+]([O-])c1cc(OCc2ccccn2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
SYK P43405 1/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.46
PARP10 Q53GL7 1/20 0.46
MGMT P16455 1/20 0.45
LMNA P02545 1/20 0.45
PPARG P37231 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL1663131 0.88 TLR4 (0.56) TLR4TLR2SYKALDH1A1SMN1; SMN2
SCHEMBL5764164 0.84 TLR4 (0.53) TLR4TLR2SYKALDH1A1SMN1; SMN2
SCHEMBL31504360 0.82 TLR4 (0.53) TLR4TLR2SYKALDH1A1SMN1; SMN2
SCHEMBL21617231 0.82 MAPT (0.53) TLR4TLR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL21617211 0.82 TLR4 (0.53) TLR4TLR2SYKALDH1A1SMN1; SMN2
SCHEMBL31504415 0.82 MAPT (0.53) TLR4TLR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8308756 0.82 TLR4 (0.53) TLR4TLR2SYKALDH1A1SMN1; SMN2
SCHEMBL29463873 0.81 MEN1 (0.53) TLR4TLR2SMN1; SMN2KMT2AMAPT
SCHEMBL810842 0.81 MEN1 (0.53) TLR4TLR2SMN1; SMN2KMT2AMAPT
SCHEMBL810302 0.80 PDE10A (0.56)

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 11 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
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (2 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TLR4 1341/4885TLR2 2749/4885SYK 4335/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TLR4 1341/4885TLR2 2749/4885SYK 4335/4885

“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.