SCHEMBL810571

SCHEMBL810571

CC(Oc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
RAF1 P04049 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
PKM P14618 1/20 0.46
VCAM1 P19320 9/20 0.43
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 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
SCHEMBL810615 0.86 MAPT (0.52) MAPTALDH1A1MAPK1LMNARAF1
SCHEMBL811476 0.86 MAPT (0.43) MAPTALDH1A1MAPK1LMNARAF1
SCHEMBL7031491 0.80 MAPT (0.55) MAPTALDH1A1MAPK1LMNARAF1
SCHEMBL9652296 0.77 MAPT (0.56) MAPTALDH1A1MAPK1LMNARAF1
SCHEMBL809916 0.76 MAPT (0.46) MAPTALDH1A1LMNAMEN1HTT
SCHEMBL29502891 0.76 FFAR1 (0.44) MAPTALDH1A1MAPK1LMNACYP2D6
SCHEMBL20526922 0.76 FFAR1 (0.44) MAPTALDH1A1MAPK1LMNACYP2D6
SCHEMBL2080670 0.74 VCAM1 (0.51) MAPTALDH1A1MAPK1LMNARAF1
SCHEMBL29024322 0.74 MAPK1 (0.40) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL31402301 0.74 MAPK1 (0.40) MAPTALDH1A1MAPK1LMNAHPGD

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 8 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
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US 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 MAPT 1347/4885ALDH1A1 2723/4885MAPK1 2917/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885ALDH1A1 2723/4885MAPK1 2917/4885

“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.