SCHEMBL821637

SCHEMBL821637

O=[N+]([O-])c1cc(OCc2ccc(Cl)s2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAF1 P04049 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
VCAM1 P19320 10/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL811108 0.83 MAPT (0.67) MAPTLMNAALDH1A1RAF1HPGD
SCHEMBL2964633 0.76 MAOB (0.52) MAPTLMNASMN1; SMN2
SCHEMBL29463873 0.76 MEN1 (0.53) MAPTMEN1KMT2AVCAM1NPC1
SCHEMBL810842 0.76 MEN1 (0.53) MAPTMEN1KMT2AVCAM1NPC1
SCHEMBL4949648 0.75 MAPT (0.62) MAPTLMNAALDH1A1RAF1HPGD
SCHEMBL810526 0.75 ALDH1A1 (0.54) MAPTLMNAALDH1A1RAF1HPGD
SCHEMBL810695 0.74 MAPT (0.58) MAPTLMNAALDH1A1RAF1HPGD
SCHEMBL810233 0.74 SIRT2 (0.50) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL810159 0.74 MAOB (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL811395 0.74 MAOB (0.50) MAPTLMNAALDH1A1RAF1HPGD

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 MAPT 1347/4885LMNA 3252/4885ALDH1A1 2723/4885

“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.