SCHEMBL408659

SCHEMBL408659

CC(=NOCc1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX5 P09917 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAOB P27338 1/20 0.42
PARP10 Q53GL7 1/20 0.42
METAP2 P50579 2/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL408656 1.00 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL1629179 0.86 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL934853 0.86 ALOX5 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL1629181 0.86 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL934854 0.86 ALOX5 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL9900542 0.86 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL2047154 0.85 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL2047156 0.85 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX5
Acetic Acid SCHEMBL27905814 0.84 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL14257301 0.82 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed
US-11124482-B2 C-met modulators and methods of use EXELIXIS, INC. (US) 2021-09-21 US disclosed
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. 2021-08-19 US disclosed
US-20200331860-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2020-10-22 US disclosed
US-20170355678-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2017-12-14 US disclosed
US-20160185725-A1 c-Met Modulators and Method of Use EXELIXIS, INC. 2016-06-30 US disclosed
US-20150376133-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. 2015-12-31 US disclosed
US-9174947-B2 c-Met modulators and methods of use Exelixus, Inc. (US) 2015-11-03 US disclosed
US-20140155396-A1 C-Met Modulators and Method of Use EXELIXIS, INC. 2014-06-05 US disclosed
US-20140155378-A9 c-Met Modulators and Method of Use EXELIXIS, INC. (US) 2014-06-05 US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
US-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
US-7579473-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2009-08-25 US disclosed
US-20090170896-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2009-07-02 US disclosed
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2009-04-23 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-10-18 US disclosed
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-09-27 US disclosed
US-20070054928-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2007-03-08 US 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 (17 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-20200331860-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET ALDH1A1 2072/4885NPC1 3618/4885RAB9A 3070/4885
US-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET ALDH1A1 2072/4885NPC1 3618/4885RAB9A 3070/4885
US-20140155378-A9 c-Met Modulators and Method of Use FLT4, MET, FLT1 ALDH1A1 2578/4885NPC1 3357/4885RAB9A 3263/4885
US-20140155396-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 ALDH1A1 2578/4885NPC1 3357/4885RAB9A 3263/4885
US-20150376133-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET ALDH1A1 2072/4885NPC1 3618/4885RAB9A 3070/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K ALDH1A1 1678/4885NPC1 1639/4885RAB9A 2198/4885
US-20170355678-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET ALDH1A1 2072/4885NPC1 3618/4885RAB9A 3070/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K ALDH1A1 2141/4885NPC1 3142/4885RAB9A 1675/4885
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET ALDH1A1 2072/4885NPC1 3618/4885RAB9A 3070/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS ALDH1A1 1438/4885NPC1 1514/4885RAB9A 1196/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 ALDH1A1 2597/4885NPC1 3278/4885RAB9A 3215/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 ALDH1A1 2578/4885NPC1 3357/4885RAB9A 3263/4885
US-20160185725-A1 c-Met Modulators and Method of Use FLT4, MET, FLT1 ALDH1A1 2578/4885NPC1 3357/4885RAB9A 3263/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 ALDH1A1 2578/4885NPC1 3357/4885RAB9A 3263/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET ALDH1A1 2072/4885NPC1 3618/4885RAB9A 3070/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 ALDH1A1 2597/4885NPC1 3278/4885RAB9A 3215/4885
US-20110077233-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 ALDH1A1 2578/4885NPC1 3357/4885RAB9A 3263/4885

“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.