SCHEMBL617807

SCHEMBL617807

CN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LPAR3 Q9UBY5 2/20 0.54
LPAR1 Q92633 1/20 0.54
LPAR5 Q9H1C0 1/20 0.54
ALDH1A1 P00352 3/20 0.50
HSPB1 P04792 1/20 0.49
ATM Q13315 1/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP4 P49662 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 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
SCHEMBL14106913 0.86 ALDH1A1 (0.56) POLBLPAR3LPAR1ALDH1A1KDM4E
SCHEMBL262253 0.84 ALDH1A1 (0.57) POLBLPAR3LPAR1ALDH1A1KDM4E
SCHEMBL29945629 0.82 CASP1 (0.63) ALDH1A1NR1H2NR1H3CASP1CASP3
SCHEMBL516995 0.82 CASP1 (0.63) ALDH1A1NR1H2NR1H3CASP1CASP3
SCHEMBL8737302 0.81 LPAR1 (0.61) POLBLPAR3LPAR1ALDH1A1KDM4E
SCHEMBL18117700 0.81 ALDH1A1 (0.51) POLBLPAR3LPAR1ALDH1A1KDM4E
SCHEMBL11095064 0.80 MAOA (0.60) POLBLPAR3LPAR1ALDH1A1KDM4E
SCHEMBL14342953 0.80 PTPRC (0.59) POLBLPAR3LPAR1LPAR5ALDH1A1
SCHEMBL177892 0.79 CYP3A4 (0.68) POLBALDH1A1HSPB1ATMKDM4E
SCHEMBL12799185 0.78 LPAR1 (0.58) POLBLPAR3LPAR1ALDH1A1KDM4E

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 61 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
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
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 (7 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 POLB 3008/4885CYP2C9 1852/4885CYP2C19 1931/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 POLB 3100/4885CYP2C9 2152/4885CYP2C19 2429/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF POLB 2817/4885CYP2C9 1943/4885CYP2C19 1851/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF POLB 2817/4885CYP2C9 1943/4885CYP2C19 1851/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF POLB 2564/4885CYP2C9 2926/4885CYP2C19 2809/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF POLB 3030/4885CYP2C9 2207/4885CYP2C19 1865/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF POLB 2817/4885CYP2C9 1943/4885CYP2C19 1851/4885

“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.