SCHEMBL6014107

SCHEMBL6014107

COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYOC Q99972 1/20 0.51
SRD5A2 P31213 1/20 0.47
HSPB1 P04792 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.45
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.43
MMP13 P45452 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
SCHEMBL14422907 0.86 CYP2C9 (0.50) MEN1KMT2AMAPK1MAPTRAB9A
SCHEMBL1403615 0.85 CYP2C19 (0.59) MEN1KMT2AMAPK1MAPTRAB9A
SCHEMBL30232741 0.85 CYP2C19 (0.59) MEN1KMT2AMAPK1MAPTRAB9A
SCHEMBL11410824 0.84 MEN1 (0.57) MEN1KMT2AMAPK1MAPTRAB9A
SCHEMBL12719462 0.81 MAPK1 (0.56) MAPK1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL17675214 0.80 PDGFRA (0.55) MAPTALDH1A1PDGFRAKDRHTT
SCHEMBL24512735 0.80 P2RX3 (0.56) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL10163267 0.80 MAPK1 (0.54) MAPK1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL753224 0.80 MAPK1 (0.54) MAPK1MAPTKDM4E
SCHEMBL11633754 0.80 MAPT (0.51) MEN1KMT2AMAPK1MAPTRAB9A

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 21 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-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
EP-2298311-B1 w-Carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-09 EP 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-7928239-B2 Anticarcinogenic agents BAYER HEALTHCARE LLC (US) 2011-04-19 US disclosed
EP-2298311-A1 w-Carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors Bayer Healthcare Llc (US) 2011-03-23 EP disclosed
US-20090118268-A1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS RIEDL BERND 2009-05-07 US disclosed
US-7528255-B2 Hydroxy, ω-carboxyaryl substituted diphenyl ureas and dirivatives thereof as raf kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2009-05-05 US disclosed
US-20080153823-A1 Omega-Carboxyaryl Substituted Diphenyl Ureas As Raf Kinase Inhibitors BAYER HEALTHCARE LLC 2008-06-26 US disclosed
US-20080108672-A1 Omega-Carboxyaryl Substituted Diphenyl Ureas As Raf Kinase Inhibitors BAYER HEALTHCARE LLC 2008-05-08 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20080153823-A1 Omega-Carboxyaryl Substituted Diphenyl Ureas As Raf Kinase Inhibitors BRAF, RAF1, ARAF MEN1 4567/4885KMT2A 1777/4885MAPK1 564/4885
US-20080108672-A1 Omega-Carboxyaryl Substituted Diphenyl Ureas As Raf Kinase Inhibitors BRAF, RAF1, ARAF MEN1 4567/4885KMT2A 1777/4885MAPK1 564/4885
US-20080032979-A1 Omega-Carboxyaryl Substituted Diphenyl Ureas As Raf Kinease Inhibitors BRAF, NRAS, RAF1 MEN1 4736/4885KMT2A 1673/4885MAPK1 2164/4885
US-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors MAPK1, MAPK8, MAPK3 MEN1 4881/4885KMT2A 2813/4885MAPK1 1/4885
US-20090118268-A1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS MAPK1, MAPK8, MAPK3 MEN1 4881/4885KMT2A 2813/4885MAPK1 1/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MEN1 4538/4885KMT2A 2458/4885MAPK1 286/4885
US-20120040986-A1 OMEGA CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, NRAS, RAF1 MEN1 4582/4885KMT2A 1970/4885MAPK1 671/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MEN1 4567/4885KMT2A 1777/4885MAPK1 564/4885

“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.