SCHEMBL620645

SCHEMBL620645

CNC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
NPC1 O15118 3/20 0.51
BRAF P15056 3/20 0.50
HDAC1 Q13547 3/20 0.50
RAF1 P04049 2/20 0.50
ARAF P10398 1/20 0.50
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MYOC Q99972 1/20 0.48
KDM4E B2RXH2 2/20 0.47
FFAR1 O14842 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 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
SCHEMBL178001 0.87 TDP1 (0.52) KMT2AMEN1NPC1RAF1POLB
SCHEMBL1531324 0.86 POLB (0.60) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL14451787 0.85 KMT2A (0.50) KMT2AMEN1NPC1RAF1RAB9A
SCHEMBL177777 0.85 MEN1 (0.57) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL31557904 0.84 MEN1 (0.50) KMT2AMEN1NPC1BRAFHDAC1
SCHEMBL257948 0.84 MMP13 (0.59) KMT2AMEN1NPC1BRAFHDAC1
SCHEMBL14451774 0.82 L3MBTL1 (0.50) KMT2AMEN1NPC1RAF1RAB9A
SCHEMBL31557922 0.82 MEN1 (0.50) KMT2AMEN1NPC1BRAFHDAC1
SCHEMBL258010 0.81 BRAF (0.58) BRAFHDAC1RAF1ARAFPOLB
SCHEMBL178202 0.81 GAA (0.49) KMT2AMEN1NPC1RAF1POLB

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2014-11-06 US disclosed
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2014-11-06 US disclosed
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2014-11-06 US disclosed
US-8841330-B2 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2014-09-23 US disclosed
US-8841330-B2 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2014-09-23 US disclosed
US-8841330-B2 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2014-09-23 US disclosed
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHERCARE LLC (US) 2012-06-07 US disclosed
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHERCARE LLC (US) 2012-06-07 US disclosed
US-8124630-B2 ω-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-02-28 US disclosed
US-20120040986-A1 OMEGA CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS RIEDL BERND (DE) 2012-02-16 US disclosed
US-7351834-B1 ω-Carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 US disclosed
US-7351834-B1 ω-Carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 US disclosed
US-20080032979-A1 Omega-Carboxyaryl Substituted Diphenyl Ureas As Raf Kinease Inhibitors BAYER HEALTHCARE LLC 2008-02-07 US disclosed
US-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors BAYER HEALTHCARE LLC 2008-01-31 US disclosed
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2007-07-26 US disclosed
US-7235576-B1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2007-06-26 US disclosed
US-7235576-B1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2007-06-26 US disclosed
US-7202275-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands WARNER LAMBERT COMPANY LLC (US) 2007-04-10 US disclosed
EP-1140840-B1 -G(V)-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2006-03-22 EP disclosed
CN-1341098-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2002-03-20 CN 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 (6 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-20080032979-A1 Omega-Carboxyaryl Substituted Diphenyl Ureas As Raf Kinease Inhibitors BRAF, NRAS, RAF1 KMT2A 1673/4885MEN1 4736/4885NPC1 1956/4885
US-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors MAPK1, MAPK8, MAPK3 KMT2A 2813/4885MEN1 4881/4885NPC1 569/4885
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR KMT2A 3859/4885MEN1 384/4885NPC1 1733/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KMT2A 2458/4885MEN1 4538/4885NPC1 1765/4885
US-20120040986-A1 OMEGA CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, NRAS, RAF1 KMT2A 1970/4885MEN1 4582/4885NPC1 1016/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KMT2A 1777/4885MEN1 4567/4885NPC1 1094/4885

“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.