SCHEMBL618697

SCHEMBL618697

CC(=O)c1ccc(Oc2ccncc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 7/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 3/20 0.47
MAOB P27338 2/20 0.46
PDE7A Q13946 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
HPSE Q9Y251 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL641398 0.80 PDE7A (0.54) KMT2AHPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL12362955 0.80 ALDH1A1 (0.58) KMT2ALMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL5179219 0.80 ALDH1A1 (0.61) KMT2AHPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL9853797 0.80 ALDH1A1 (0.51) KMT2ALMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL618478 0.77 MAPT (0.53) KMT2AHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL641410 0.77 MAPT (0.46) KMT2AHPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL4745636 0.76 ALDH1A1 (0.48) KMT2AHPGDALDH1A1MAPTHTT
SCHEMBL2960341 0.76 PDE7A (0.67) KMT2AHPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL3886702 0.75 MAPT (0.50) KMT2AHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL28797610 0.74 MAPT (0.47) KMT2ALMNAALDH1A1MAPTRAB9A

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 KMT2A 1929/4885HPGD 2652/4885LMNA 2915/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 KMT2A 2119/4885HPGD 2749/4885LMNA 3163/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF KMT2A 1777/4885HPGD 2745/4885LMNA 3199/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF KMT2A 1777/4885HPGD 2745/4885LMNA 3199/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KMT2A 2458/4885HPGD 2852/4885LMNA 3377/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF KMT2A 2742/4885HPGD 2546/4885LMNA 3574/4885
US-20120040986-A1 OMEGA CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, NRAS, RAF1 KMT2A 1970/4885HPGD 2758/4885LMNA 2772/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KMT2A 1777/4885HPGD 2745/4885LMNA 3199/4885

“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.