SCHEMBL810308

SCHEMBL810308

N#Cc1ccc(COc2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.61
MERTK Q12866 2/20 0.56
MAPT P10636 2/20 0.52
MAOB P27338 7/20 0.49
MAOA P21397 4/20 0.49
CYP19A1 P11511 1/20 0.47
RAB9A P51151 1/20 0.46
SMPD1 P17405 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL1663248 0.88 MAPT (0.59) MERTKMAPTMAOBMAOACYP19A1
SCHEMBL810911 0.86 VCAM1 (0.57) VCAM1MERTKMAPTMAOBMAOA
SCHEMBL2964633 0.85 MAOB (0.52) MAPTMAOBMAOASMN1; SMN2
SCHEMBL811395 0.83 MAOB (0.50) MAPTMAOBMAOARAB9ASMN1; SMN2
SCHEMBL810695 0.83 MAPT (0.58) MAPTMAOBCYP19A1RAB9ASMN1; SMN2
SCHEMBL810233 0.83 SIRT2 (0.50) MAPTMAOBMAOASMN1; SMN2
SCHEMBL810159 0.83 MAOB (0.50) MAPTMAOBMAOARAB9ASMN1; SMN2
SCHEMBL810842 0.82 MEN1 (0.53) VCAM1MAPTMAOBMAOARAB9A
SCHEMBL29463873 0.82 MEN1 (0.53) VCAM1MAPTMAOBMAOARAB9A
SCHEMBL7325804 0.80 MAPT (0.53) MERTKMAPTMAOBMAOACYP19A1

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 VCAM1 1503/4885MERTK 2634/4885MAPT 1347/4885

“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.