SCHEMBL618180

SCHEMBL618180

O=C(NCCN1CCOCC1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.66
CYP2C9 P11712 1/20 0.66
RAB9A P51151 1/20 0.65
LMNA P02545 4/20 0.58
RAF1 P04049 1/20 0.58
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
FFAR1 O14842 1/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX2 P34913 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
DRD4 P21917 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL621388 0.90 RAF1 (0.57) CYP2C19CYP2C9RAB9ALMNARAF1
SCHEMBL6014155 0.86 CYP2C19 (0.74) CYP2C19CYP2C9RAF1CYP1A2CYP2D6
SCHEMBL617886 0.86 CYP2C19 (0.71) CYP2C19CYP2C9RAF1CYP1A2CYP2D6
SCHEMBL28024114 0.85 POLB (0.73) CYP2C19CYP2C9LMNACYP1A2CYP2D6
SCHEMBL7040997 0.83 LMNA (0.69) LMNAALDH1A1L3MBTL1POLBMEN1
SCHEMBL30098940 0.80 CYP2C19 (1.00) CYP2C19CYP2C9LMNACYP1A2CYP2D6
SCHEMBL15822962 0.80 CYP2C19 (1.00) CYP2C19CYP2C9LMNACYP1A2CYP2D6
SCHEMBL1366896 0.79 CYP2C19 (0.77) CYP2C19CYP2C9CYP1A2CYP2D6ALDH1A1
SCHEMBL5067764 0.78 LMNA (0.59) CYP2C19LMNAALDH1A1MEN1KMT2A
SCHEMBL11570143 0.78 FFAR1 (0.67) RAB9ALMNARAF1ALDH1A1FFAR1

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 CYP2C19 1931/4885CYP2C9 1852/4885RAB9A 1936/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 CYP2C19 2429/4885CYP2C9 2152/4885RAB9A 1400/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF CYP2C19 1851/4885CYP2C9 1943/4885RAB9A 2093/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF CYP2C19 1851/4885CYP2C9 1943/4885RAB9A 2093/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CYP2C19 2809/4885CYP2C9 2926/4885RAB9A 2639/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF CYP2C19 1865/4885CYP2C9 2207/4885RAB9A 1099/4885
US-20120040986-A1 OMEGA CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, NRAS, RAF1 CYP2C19 1693/4885CYP2C9 1620/4885RAB9A 2215/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CYP2C19 1851/4885CYP2C9 1943/4885RAB9A 2093/4885

“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.