SCHEMBL1804544

SCHEMBL1804544

CNS(=O)(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.79
LMNA P02545 7/20 0.79
GAA P10253 4/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
ALDH1A1 P00352 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 3/20 0.55
PKM P14618 1/20 0.55
VCAM1 P19320 1/20 0.53
CTSB P07858 1/20 0.53

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
SCHEMBL26231049 0.86 MAPT (0.62) MAPTLMNAGAAKMT2AMEN1
SCHEMBL9980456 0.86 MAPT (0.77) MAPTLMNAGAAKMT2AMEN1
SCHEMBL15647116 0.84 GAA (0.59) MAPTLMNAGAAKMT2AMEN1
SCHEMBL16038620 0.83 MAPT (0.75) MAPTLMNAGAAKMT2AMEN1
SCHEMBL12066385 0.81 MAPT (0.72) MAPTLMNAGAAKMT2AMEN1
SCHEMBL15648006 0.80 GAA (0.60) MAPTLMNAGAAKMT2AMEN1
SCHEMBL1804039 0.80 KDM4E (0.62) MAPTLMNAGAAKMT2AMEN1
SCHEMBL12067909 0.80 MAPT (0.70) MAPTLMNAGAAKMT2AMEN1
SCHEMBL12065779 0.79 LMNA (0.69) MAPTLMNAGAAKMT2AMEN1
SCHEMBL259406 0.78 MAPT (0.69) MAPTLMNAGAAKMT2AMEN1

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-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 US disclosed
US-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-24 US disclosed
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
CN-102711474-B Quinazoline compounds GLAXOSMITHKLINE LLC 2014-09-10 CN 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
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
EP-2501233-A1 QUINAZOLINE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-26 EP disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011088031-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011056739-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS 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 (4 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-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS MCL1, BCLAF1, BCL2A1 MAPT 4738/4885LMNA 4385/4885GAA 1302/4885
US-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 MAPT 3517/4885LMNA 2524/4885GAA 2320/4885
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors MCL1, BCLAF1, BCL2A1 MAPT 4738/4885LMNA 4385/4885GAA 1302/4885
US-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR MAPT 2957/4885LMNA 3022/4885GAA 2998/4885

“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.