SCHEMBL810480

SCHEMBL810480

Nc1cc([N+](=O)[O-])ccc1Sc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
MAOB P27338 2/20 0.48
MAPT P10636 5/20 0.48
PDE7A Q13946 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
AR P10275 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL810198 0.79 PDE7A (0.55) MAOBMAPTPDE7AMEN1KMT2A
SCHEMBL2081746 0.78 MAPT (0.71) CTSVCTSLMAOBMAPTMEN1
SCHEMBL811334 0.78 CYP1A2 (0.55) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL810565 0.77 GAA (0.58) MAPTPDE7AMEN1KMT2AALDH1A1
SCHEMBL11957592 0.77 MAPT (0.46) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL2969127 0.76 MAOB (0.53) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL15814442 0.76 MEN1 (0.65) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL13596117 0.76 MAOB (0.54) CTSVCTSLMAOBMAPTMEN1
SCHEMBL11707930 0.74 PDE7A (0.57) MAPTPDE7AMEN1KMT2AALDH1A1
SCHEMBL3298587 0.74 MEN1 (0.63) CTSVCTSLMAPTMEN1KMT2A

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 CTSV 90/4885CTSL 1268/4885MAOB 3352/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CTSV 90/4885CTSL 1268/4885MAOB 3352/4885

“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.