SCHEMBL620004

SCHEMBL620004

CNS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.80
CA1 P00915 3/20 0.80
CA9 Q16790 3/20 0.80
CA12 O43570 2/20 0.80
CA3 P07451 1/20 0.80
CA4 P22748 1/20 0.80
CA6 P23280 1/20 0.80
CA5A P35218 1/20 0.80
CA7 P43166 1/20 0.80
CA13 Q8N1Q1 1/20 0.80
CA14 Q9ULX7 1/20 0.80
CA5B Q9Y2D0 1/20 0.80
SMN1; SMN2 Q16637 5/20 0.73
LMNA P02545 4/20 0.73
HTT P42858 2/20 0.73
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 2/20 0.64
MAPK1 P28482 2/20 0.64
MMP1 P03956 1/20 0.54

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
SCHEMBL526906 0.89 CA2 (1.00) CA2CA1CA9CA12CA3
SCHEMBL620638 0.87 CA1 (0.60) CA2CA1CA9CA12CA3
SCHEMBL17907417 0.86 SMN1; SMN2 (1.00) CA2CA1CA9CA12CA3
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.82 HSPB1 (0.76) CA2CA1CA9SMN1; SMN2LMNA
SCHEMBL177792 0.81 HSPB1 (0.59) CA2CA1CA9CA12CA3
SCHEMBL11846940 0.80 SMN1; SMN2 (0.64) CA2CA1CA9CA12CA3
SCHEMBL9852534 0.80 SMN1; SMN2 (0.64) CA2CA1CA9CA12CA3
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.80 HSPB1 (0.79) CA2CA1CA9SMN1; SMN2LMNA
SCHEMBL11689190 0.80 HSPB1 (0.79) CA2CA1CA9SMN1; SMN2LMNA
SCHEMBL9183872 0.80 HSPB1 (0.79) CA2CA1CA9SMN1; SMN2LMNA

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 41 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-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
EP-1158985-B1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-12-28 EP 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-7897623-B2 FDA Orange book listed patent for sorafenib tosylate; tablets BAYER HEALTHCARE LLC (US) 2011-03-01 US disclosed
CN-1341098-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2002-03-20 CN disclosed
EP-1158985-A1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2001-12-05 EP disclosed
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-25 US disclosed
EP-1140840-A1 -G(V)-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS Bayer Corporation (US) 2001-10-10 EP disclosed
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-04 US disclosed
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-23 US disclosed
US-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
WO-2000041698-A1 φ-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-2000042012-A1 φ-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 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 (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-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF CA2 4539/4885CA1 4830/4885CA9 4490/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 CA2 3850/4885CA1 4687/4885CA9 3181/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF CA2 4543/4885CA1 4853/4885CA9 4638/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF CA2 4543/4885CA1 4853/4885CA9 4638/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CA2 4253/4885CA1 4792/4885CA9 4459/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF CA2 4564/4885CA1 4862/4885CA9 4489/4885
US-20120040986-A1 OMEGA CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, NRAS, RAF1 CA2 4527/4885CA1 4850/4885CA9 4626/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CA2 4543/4885CA1 4853/4885CA9 4638/4885

“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.