SCHEMBL4329459

SCHEMBL4329459

CC(C)c1ccc(F)c(N=C=S)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
MIF P14174 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
ABCB11 O95342 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL18245300 0.76 LMNA (0.34) LMNATDP1MAPTMAPK1L3MBTL1
SCHEMBL15221620 0.76 ALDH1A1 (0.33) LMNATDP1MAPTMAPK1L3MBTL1
SCHEMBL1021207 0.75 LMNA (0.33) LMNATDP1TRPA1PTGS1CACNA1C
SCHEMBL30940601 0.75 CA3 (0.38) LMNATDP1MAPTMAPK1L3MBTL1
SCHEMBL1457805 0.75 CA3 (0.38) LMNATDP1MAPTMAPK1L3MBTL1
SCHEMBL1021879 0.73 HTR2B (0.34) TDP1L3MBTL1MIFALDH1A1ABCB11
SCHEMBL11413817 0.73 P2RY6 (0.42) TDP1MAPTTRPA1MIFALDH1A1
SCHEMBL13788568 0.73 NAAA (0.33)
SCHEMBL10719969 0.73 APLNR (0.41) MAPTMIFALDH1A1CYP1A2CYP3A4
SCHEMBL28793010 0.72 MIF (0.30) MIF

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US disclosed
CN-1889951-A Substituted benzazoles and methods of their use as inhibitors of RAF kinase CHIRON CORP (US) 2007-01-03 CN disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 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 (3 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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF LMNA 3081/4885TDP1 996/4885MAPT 4054/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF LMNA 3081/4885TDP1 996/4885MAPT 4054/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF LMNA 3081/4885TDP1 996/4885MAPT 4054/4885

“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.