SCHEMBL1812355

SCHEMBL1812355

CNS(=O)(=O)c1ccc(SC)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.63
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
CCR2 P41597 2/20 0.53
ALDH3A1 P30838 4/20 0.52
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
EPAS1 Q99814 1/20 0.47
ALDH1A1 P00352 2/20 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
SCHEMBL687484 0.89 VCAM1 (0.65) VCAM1LMNAMAPTCCR2ALDH3A1
SCHEMBL2288074 0.84 VCAM1 (0.58) VCAM1LMNAMAPTCCR2ALDH3A1
SCHEMBL12067854 0.79 VCAM1 (0.69) VCAM1LMNAMAPTCCR2ALDH3A1
SCHEMBL2284748 0.78 VCAM1 (0.67) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL686821 0.78 VCAM1 (1.00) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL1805304 0.78 VCAM1 (0.67) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL11280979 0.78 VCAM1 (0.67) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL9365595 0.77 LMNA (0.56) VCAM1LMNACCR2CA2CA12
SCHEMBL1806632 0.76 VCAM1 (0.65) VCAM1LMNAMAPTCCR2ALDH3A1
SCHEMBL14259882 0.76 VCAM1 (0.47) VCAM1LMNAMAPTCCR2CA2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
CN-102791131-A Compounds and methods GLAXOSMITHKLINE LLC 2012-11-21 CN disclosed
CN-102711474-A Quinazoline compounds GLAXOSMITHKLINE LLC 2012-10-03 CN disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056739-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056739-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 VCAM1 4110/4885LMNA 2524/4885MAPT 3517/4885
US-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR VCAM1 4679/4885LMNA 3022/4885MAPT 2957/4885

“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.