SCHEMBL177676

SCHEMBL177676

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.71
KDM4E B2RXH2 1/20 0.71
CRHBP P24387 1/20 0.68
CRHR2 Q13324 1/20 0.68
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HDAC8 Q9BY41 2/20 0.51
NPC1 O15118 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL668647 0.86 FFAR1 (0.71) FFAR1KDM4ECRHBPCRHR2MEN1
SCHEMBL11570143 0.86 FFAR1 (0.67) FFAR1KDM4ECRHBPCRHR2MEN1
SCHEMBL31504019 0.85 KDM4E (0.72) FFAR1KDM4ECRHBPCRHR2MEN1
SCHEMBL4364884 0.85 FFAR1 (0.53) FFAR1KDM4ECRHBPCRHR2MEN1
Diphenylether SCHEMBL6868881 0.85 FFAR1 (0.62) FFAR1KDM4ECRHBPCRHR2MEN1
SCHEMBL177838 0.83 KDM4E (1.00) FFAR1KDM4ECRHBPCRHR2MEN1
SCHEMBL7053844 0.82 HDAC8 (0.73) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL11601386 0.82 KDM4E (0.76) FFAR1KDM4ECRHBPCRHR2MEN1
SCHEMBL177829 0.82 KDM4E (0.76) FFAR1KDM4ECRHBPCRHR2MEN1
SCHEMBL257694 0.81 MMP13 (0.71) KDM4EMEN1KMT2ARAB9ATP53

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 68 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 FFAR1 182/4885KDM4E 1572/4885CRHBP 4241/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 FFAR1 122/4885KDM4E 1326/4885CRHBP 3995/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF FFAR1 127/4885KDM4E 1426/4885CRHBP 4347/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF FFAR1 127/4885KDM4E 1426/4885CRHBP 4347/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF FFAR1 33/4885KDM4E 1407/4885CRHBP 3636/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF FFAR1 313/4885KDM4E 2089/4885CRHBP 4273/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF FFAR1 127/4885KDM4E 1426/4885CRHBP 4347/4885

“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.