SCHEMBL4401159

SCHEMBL4401159

Cc1ccc(NC(=O)CCCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.75
NPC1 O15118 5/20 0.72
RAB9A P51151 5/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
ALDH1A1 P00352 2/20 0.72
MAPT P10636 2/20 0.72
ALOX15 P16050 1/20 0.72
NFKB1 P19838 1/20 0.72
MAPK1 P28482 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
MCL1 Q07820 1/20 0.72
POLB P06746 1/20 0.72
HDAC3 O15379 4/20 0.69
HDAC1 Q13547 4/20 0.69
HDAC2 Q92769 4/20 0.69
HDAC10 Q969S8 4/20 0.69
HDAC11 Q96DB2 4/20 0.69
HDAC8 Q9BY41 4/20 0.69
HDAC6 Q9UBN7 4/20 0.69

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
SCHEMBL1471759 0.90 MAPT (0.77) TRPV1NPC1RAB9AALDH1A1MAPT
SCHEMBL8012743 0.89 TRPV1 (0.81) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7636110 0.86 TRPV1 (0.77) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19501635 0.86 TRPV1 (0.77) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8265643 0.85 TRPV1 (0.71) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1996813 0.84 TRPV1 (0.75) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18423189 0.84 TRPV1 (0.75) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7834640 0.84 TRPV1 (0.75) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13389060 0.84 MAPT (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18422082 0.83 TRPV1 (0.73) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174947-B2 c-Met modulators and methods of use Exelixus, Inc. (US) 2015-11-03 US disclosed
US-8178532-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
US-8067436-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) 2011-11-29 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-20080161305-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. (US) 2008-07-03 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 (6 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-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET TRPV1 4053/4885NPC1 3618/4885RAB9A 3070/4885
US-20080161305-A1 C-Met Modulators and Methods of Use MET, HGFAC, HGF TRPV1 4059/4885NPC1 3103/4885RAB9A 3398/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 TRPV1 4401/4885NPC1 3278/4885RAB9A 3215/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 TRPV1 4378/4885NPC1 3357/4885RAB9A 3263/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 TRPV1 4378/4885NPC1 3357/4885RAB9A 3263/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 TRPV1 4401/4885NPC1 3278/4885RAB9A 3215/4885

“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.