SCHEMBL620731

SCHEMBL620731

CN1CCCC1CNC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FFAR1 O14842 2/20 0.54
KDM4E B2RXH2 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
HTT P42858 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MCHR2 Q969V1 1/20 0.48
MCHR1 Q99705 1/20 0.48
CHRM3 P20309 1/20 0.47

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
SCHEMBL620234 0.86 RAB9A (0.53) CHRNB2CHRNA4RAB9AMCHR2MCHR1
SCHEMBL5071539 0.83 FFAR1 (0.53) CHRNB2CHRNA4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL618658 0.80 HTT (0.81) ALDH1A1SMN1; SMN2L3MBTL1FFAR1KDM4E
SCHEMBL621388 0.80 RAF1 (0.57) ALDH1A1FFAR1KDM4ECRHBPCRHR2
SCHEMBL11570143 0.80 FFAR1 (0.67) ALDH1A1SMN1; SMN2FFAR1KDM4ECRHBP
SCHEMBL6014110 0.77 MCHR1 (0.66) KMT2AMCHR2MCHR1
SCHEMBL618180 0.77 CYP2C19 (0.66) ALDH1A1SMN1; SMN2L3MBTL1FFAR1KDM4E
SCHEMBL17918744 0.76 HPGD (0.59) RAB9ACHRM3
SCHEMBL177676 0.76 FFAR1 (0.71) ALDH1A1SMN1; SMN2FFAR1KDM4ECRHBP
SCHEMBL668647 0.76 FFAR1 (0.71) ALDH1A1SMN1; SMN2FFAR1KDM4ECRHBP

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 34 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
US-20030139605-A1 Method and/or process for preparing omega-carboxyaryl substituted diphenyl ureas as raf kinas inhibitors BAYER HEALTHCARE LLC 2003-07-24 US disclosed
US-20030105091-A1 Omega-carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors BAYER HEALTHCARE LLC 2003-06-05 US disclosed
US-20020165394-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER CORPORATION 2002-11-07 US disclosed
US-20020137774-A1 Carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER CORPORATION 2002-09-26 US disclosed
CN-1341098-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2002-03-20 CN disclosed
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-25 US 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

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

For each of this compound's patents that has machine-readable text (12 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 CHRNB2 4704/4885CHRNA4 4818/4885ALDH1A1 1431/4885
US-20020165394-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BRAF, RAF1, ARAF CHRNB2 4618/4885CHRNA4 4591/4885ALDH1A1 2284/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 CHRNB2 4683/4885CHRNA4 4772/4885ALDH1A1 1887/4885
US-20020137774-A1 Carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, NRAS CHRNB2 4826/4885CHRNA4 4871/4885ALDH1A1 1469/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF CHRNB2 4710/4885CHRNA4 4810/4885ALDH1A1 1392/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF CHRNB2 4710/4885CHRNA4 4810/4885ALDH1A1 1392/4885
US-20030139605-A1 Method and/or process for preparing omega-carboxyaryl substituted diphenyl ureas as raf kinas inhibitors RAF1, BRAF, ARAF CHRNB2 4337/4885CHRNA4 4762/4885ALDH1A1 436/4885
US-20030105091-A1 Omega-carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors MAPK1, MAPK8, MAPK3 CHRNB2 4264/4885CHRNA4 4649/4885ALDH1A1 1329/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CHRNB2 4618/4885CHRNA4 4754/4885ALDH1A1 1800/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF CHRNB2 4662/4885CHRNA4 4797/4885ALDH1A1 1474/4885
US-20120040986-A1 OMEGA CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, NRAS, RAF1 CHRNB2 4729/4885CHRNA4 4828/4885ALDH1A1 1508/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CHRNB2 4710/4885CHRNA4 4810/4885ALDH1A1 1392/4885

“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.