SCHEMBL177761

SCHEMBL177761

CNC(=O)c1cccc(Oc2ccc(N)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.57
HDAC6 Q9UBN7 5/20 0.57
HDAC3 O15379 4/20 0.57
BRAF P15056 4/20 0.57
HDAC4 P56524 4/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC7 Q8WUI4 4/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC10 Q969S8 4/20 0.57
HDAC11 Q96DB2 4/20 0.57
HDAC9 Q9UKV0 4/20 0.57
HDAC5 Q9UQL6 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
MITF O75030 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL7053844 0.87 HDAC8 (0.73) HDAC8HDAC6SMN1; SMN2HPGDTSHR
SCHEMBL4363699 0.87 BRAF (0.56) HDAC8HDAC6HDAC3BRAFHDAC4
SCHEMBL257694 0.86 MMP13 (0.71) HDAC8HDAC6SMN1; SMN2HPGDTSHR
SCHEMBL30147470 0.85 GCK (0.59) HDAC8HDAC6BRAFHDAC1SMN1; SMN2
SCHEMBL5873911 0.83 SMN1; SMN2 (0.58) HDAC8SMN1; SMN2ALDH1A1MEN1MITF
SCHEMBL4364086 0.83 HDAC8 (0.50) HDAC8HDAC6HDAC3BRAFHDAC4
Diphenylether SCHEMBL6859631 0.83 HPGD (0.68) HDAC8HDAC6HDAC3BRAFHDAC4
SCHEMBL310329 0.82 ALDH1A1 (0.66) HDAC8SMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL8903435 0.82 ALDH1A1 (0.66) HDAC8SMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL29436294 0.82 ALDH1A1 (0.66) HDAC8SMN1; SMN2TSHRALDH1A1MEN1

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 81 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-20130012548-A1 DEUTERIUM-SUBSTITUTED OMEGA-DIPHENYLUREA AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2013-01-10 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
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHERCARE LLC (US) 2012-06-07 US disclosed
US-20020042517-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER CORPORATION 2002-04-11 US 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 (9 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 HDAC8 2536/4885HDAC6 2896/4885HDAC3 2636/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 HDAC8 3102/4885HDAC6 3975/4885HDAC3 3903/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF HDAC8 2291/4885HDAC6 3246/4885HDAC3 2914/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF HDAC8 2291/4885HDAC6 3246/4885HDAC3 2914/4885
US-20130012548-A1 DEUTERIUM-SUBSTITUTED OMEGA-DIPHENYLUREA AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS PPARD, HDHD5, SCD HDAC8 3585/4885HDAC6 2810/4885HDAC3 3212/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF HDAC8 2507/4885HDAC6 3817/4885HDAC3 3503/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF HDAC8 3384/4885HDAC6 3558/4885HDAC3 3347/4885
US-20020042517-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF HDAC8 2291/4885HDAC6 3246/4885HDAC3 2914/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF HDAC8 2291/4885HDAC6 3246/4885HDAC3 2914/4885

“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.