SCHEMBL810366

SCHEMBL810366

N#Cc1ccc(Oc2ccc(O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.60
LRRK2 Q5S007 1/20 0.54
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
VCAM1 P19320 2/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HSPB1 P04792 1/20 0.48
PDE7A Q13946 1/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ESRRA P11474 1/20 0.43
PTPN1 P18031 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 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
SCHEMBL8968903 0.86 MERTK (0.59) MERTKLRRK2KMT2AMEN1VCAM1
SCHEMBL27729647 0.83 MERTK (0.67) MERTKLRRK2KMT2AMEN1VCAM1
SCHEMBL9507369 0.82 MAPT (0.68) MERTKLRRK2KMT2AMEN1MAPT
SCHEMBL2826350 0.81 MERTK (0.60) MERTKLRRK2KMT2AMEN1VCAM1
SCHEMBL2969404 0.81 MERTK (0.71) MERTKLRRK2KMT2AMEN1VCAM1
SCHEMBL694473 0.81 HTT (0.54) MERTKLRRK2KMT2AMEN1VCAM1
SCHEMBL2030257 0.81 MERTK (0.53) MERTKLRRK2KMT2AMEN1VCAM1
SCHEMBL10537196 0.80 ALDH1A1 (0.73) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL810516 0.78 PDE7A (0.74) MERTKKMT2AMEN1MAPTALDH1A1
SCHEMBL810877 0.78 ALDH1A1 (0.55) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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
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
US-4254262-A IN THE PRESENCE OF A QUATERNARY AMMONIUM OR PHOSPHONIUM SALT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-03-03 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 (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 MERTK 2634/4885LRRK2 1469/4885KMT2A 3566/4885

“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.